G4V975_SCHMA Loading...

U3 small nucleolar RNA-associated protein 23

Involved in rRNA-processing and ribosome biogenesis.

AlphaFold DB , UniProt , Accession G4V975, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 262 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M64Low88.8Confident205 Ų205118 Ų118100%1.0153%0.526SS*.  0-43.50-72.9-156.6-86.300114.1I3 K4 R5M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 3.01Å; M1-K4 PolarHBondContact O-N 3.23Å; M1-K4 VanDerWaalsContact O-N 3.14Å; M1-R5 PolarHBondContact O-N 3.29Å
2K78.9Confident89.3Confident179 Ų179108.7 Ų108.778%0.77849%0.485SS*.Hα-helixtrans-48.9-48.5-179.7-64-176.3178.7-177.60114K4 R5 V6K2-K4 PolarHBondContact O-N 2.78Å; K2-R5 WeakPolarHBondContact O-CB 3.48Å; K2-R5 PolarHBondContact O-N 3.21Å; K2-R5 VanDerWaalsContact O-N 3.11Å; K2-V6 PolarHBondContact O-N 3.06Å
3I88.2Confident89.7Confident124 Ų124100.6 Ų100.664%0.63645%0.449SS*.Hα-helixtrans-58.4-42.3-179.6-58.7169.3000112.8M1 R5 V6 K7M1-I3 VanDerWaalsContact C-N 3.35Å; M1-I3 PolarHBondContact O-N 3.01Å; I3-R5 VanDerWaalsContact C-N 3.3Å; I3-R5 PolarHBondContact O-N 3.19Å; I3-V6 PolarHBondContact O-N 3.39Å; I3-K7 HydrophobicContact CG2-CD 4.16Å; I3-K7 HydrophobicContact CG2-CG 4.47Å; I3-K7 WeakPolarHBondContact O-CB 3.45Å; I3-K7 VanDerWaalsContact O-CG 3.31Å; I3-K7 WeakPolarHBondContact O-CG 3.43Å; I3-K7 PolarHBondContact O-N 3.02Å
4K91.5Very high90Very high173 Ų17398.3 Ų98.375%0.75244%0.443SS*.Hα-helixtrans-64-37.7179.3-70.4-172.8177.2-176.60111.3M1 K2 N8M1-K4 PolarHBondContact O-N 3.23Å; M1-K4 VanDerWaalsContact O-N 3.14Å; K2-K4 PolarHBondContact O-N 2.78Å; K4-N8 WeakPolarHBondContact O-CB 3.37Å; K4-N8 PolarHBondContact O-N 3.39Å
5R91Very high90.2Very high58 Ų5896.1 Ų96.122%0.21944%0.436CS..Hα-helixtrans-66.3-50.9177.7-176-175.6-60.8165.69.5111.8M1 K2 I3 K7 N8 Y9 R158M1-R5 PolarHBondContact O-N 3.29Å; K2-R5 WeakPolarHBondContact O-CB 3.48Å; K2-R5 PolarHBondContact O-N 3.21Å; K2-R5 VanDerWaalsContact O-N 3.11Å; I3-R5 VanDerWaalsContact C-N 3.3Å; I3-R5 PolarHBondContact O-N 3.19Å; R5-K7 VanDerWaalsContact C-N 3.26Å; R5-K7 PolarHBondContact O-N 2.97Å; R5-N8 WeakPolarHBondContact O-CA 3.41Å; R5-N8 WeakPolarHBondContact O-CB 3.46Å; R5-N8 PolarHBondContact O-N 3.08Å; R5-Y9 WeakPolarHBondContact CD-OH 3.43Å; R5-Y9 HydrophobicContact CG-CD1 4.09Å; R5-Y9 HydrophobicContact CG-CD2 4.3Å; R5-Y9 HydrophobicContact CG-CE1 3.53Å; R5-Y9 HydrophobicContact CG-CE2 3.77Å; R5-Y9 HydrophobicContact CG-CG 4.42Å; R5-Y9 WeakPolarHBondContact O-CD1 3.47Å; R5-Y9 PolarHBondContact O-N 3.01Å; R5-R158 VanDerWaalsContact NH2-NE 3.14Å
6V92.8Very high90.4Very high39 Ų3990.5 Ų90.524%0.23641%0.411CS..Hα-helixtrans-56.9-44.4178176.50000110.3K2 I3 N8 Y9 R10K2-V6 PolarHBondContact O-N 3.06Å; I3-V6 PolarHBondContact O-N 3.39Å; V6-N8 VanDerWaalsContact C-N 3.34Å; V6-N8 PolarHBondContact O-N 2.85Å; V6-Y9 PolarHBondContact O-N 2.95Å; V6-R10 WeakPolarHBondContact O-CB 3.47Å; V6-R10 PolarHBondContact O-N 3.48Å
7K93.7Very high90.4Very high124 Ų12487.6 Ų87.654%0.53940%0.399SS..Hα-helixtrans-60.1-41.7174.1-73.8-178.2179.3-170.60112.8I3 R5 R11I3-K7 HydrophobicContact CG2-CD 4.16Å; I3-K7 HydrophobicContact CG2-CG 4.47Å; I3-K7 WeakPolarHBondContact O-CB 3.45Å; I3-K7 VanDerWaalsContact O-CG 3.31Å; I3-K7 WeakPolarHBondContact O-CG 3.43Å; I3-K7 PolarHBondContact O-N 3.02Å; R5-K7 VanDerWaalsContact C-N 3.26Å; R5-K7 PolarHBondContact O-N 2.97Å; K7-R11 VanDerWaalsContact O-CG 3.25Å; K7-R11 WeakPolarHBondContact O-CG 3.36Å; K7-R11 PolarHBondContact O-N 3.21Å; K7-R11 VanDerWaalsContact O-N 3.08Å
8N94Very high90.4Very high73 Ų7387.9 Ų87.939%0.3941%0.409SS..Hα-helixtrans-63.5-44.7177.3-167.746.7000111.2K4 R5 V6 R11 T12K4-N8 WeakPolarHBondContact O-CB 3.37Å; K4-N8 PolarHBondContact O-N 3.39Å; R5-N8 WeakPolarHBondContact O-CA 3.41Å; R5-N8 WeakPolarHBondContact O-CB 3.46Å; R5-N8 PolarHBondContact O-N 3.08Å; V6-N8 VanDerWaalsContact C-N 3.34Å; V6-N8 PolarHBondContact O-N 2.85Å; N8-R11 WeakPolarHBondContact O-CB 3.39Å; N8-R11 PolarHBondContact O-N 2.88Å; N8-T12 PolarHBondContact O-N 3.03Å; N8-T12 PolarHBondContact O-OG1 3.39Å
9Y94.9Very high90.3Very high9 Ų987.1 Ų87.14%0.03541%0.405CS..Hα-helixtrans-69.3-42.2-176-67.77.4000111.5R5 V6 R11 T12 I13 T53 N160 L161R5-Y9 WeakPolarHBondContact CD-OH 3.43Å; R5-Y9 HydrophobicContact CG-CD1 4.09Å; R5-Y9 HydrophobicContact CG-CD2 4.3Å; R5-Y9 HydrophobicContact CG-CE1 3.53Å; R5-Y9 HydrophobicContact CG-CE2 3.77Å; R5-Y9 HydrophobicContact CG-CG 4.42Å; R5-Y9 WeakPolarHBondContact O-CD1 3.47Å; R5-Y9 PolarHBondContact O-N 3.01Å; V6-Y9 PolarHBondContact O-N 2.95Å; Y9-R11 VanDerWaalsContact C-N 3.34Å; Y9-R11 PolarHBondContact O-N 3.44Å; Y9-T12 PolarHBondContact O-N 3.24Å; Y9-I13 WeakPolarHBondContact O-CB 3.32Å; Y9-I13 VanDerWaalsContact O-CG1 3.31Å; Y9-I13 WeakPolarHBondContact O-CG1 3.43Å; Y9-I13 PolarHBondContact O-N 3.22Å; Y9-T53 HydrophobicContact CD2-CG2 3.23Å; Y9-T53 HydrophobicContact CE2-CG2 3.21Å; Y9-T53 HydrophobicContact CG-CG2 4.46Å; Y9-N160 WeakPolarHBondContact OH-CA 3.44Å; Y9-L161 HydrophobicContact CD1-CB 3.65Å; Y9-L161 HydrophobicContact CD1-CD2 3.8Å; Y9-L161 HydrophobicContact CD1-CG 4.32Å; Y9-L161 HydrophobicContact CD2-CB 3.86Å; Y9-L161 HydrophobicContact CD2-CD2 4.43Å; Y9-L161 HydrophobicContact CE1-CB 3.51Å; Y9-L161 HydrophobicContact CE1-CD2 4.47Å; Y9-L161 HydrophobicContact CE2-CB 3.71Å; Y9-L161 HydrophobicContact CG-CB 3.86Å; Y9-L161 HydrophobicContact CG-CD2 3.81Å; Y9-L161 PolarHBondContact OH-N 3.28Å
10R94.2Very high90.2Very high147 Ų14784.1 Ų84.156%0.55539%0.391SS*.Hα-helixtrans-53.2-52.3170.2175.9174.9171.9179.90.4110.9V6 T12 I13 D14V6-R10 WeakPolarHBondContact O-CB 3.47Å; V6-R10 PolarHBondContact O-N 3.48Å; R10-T12 VanDerWaalsContact C-N 3.34Å; R10-T12 PolarHBondContact O-N 3.34Å; R10-I13 PolarHBondContact O-N 3.24Å; R10-D14 WeakPolarHBondContact CG-OD2 3.31Å; R10-D14 IonicContact NE-OD2 3.39Å; R10-D14 PolarHBondContact NE-OD2 3.2Å; R10-D14 VanDerWaalsContact O-CB 3.29Å; R10-D14 WeakPolarHBondContact O-CB 3.42Å; R10-D14 PolarHBondContact O-N 3.26Å
11R94.3Very high90.1Very high167 Ų16780.5 Ų80.563%0.6338%0.377SS*.Hα-helixtrans-56.9-45.9178.4-73.1169.8-179.6-175.7-4.5112.5K7 N8 Y9 L15K7-R11 VanDerWaalsContact O-CG 3.25Å; K7-R11 WeakPolarHBondContact O-CG 3.36Å; K7-R11 PolarHBondContact O-N 3.21Å; K7-R11 VanDerWaalsContact O-N 3.08Å; N8-R11 WeakPolarHBondContact O-CB 3.39Å; N8-R11 PolarHBondContact O-N 2.88Å; Y9-R11 VanDerWaalsContact C-N 3.34Å; Y9-R11 PolarHBondContact O-N 3.44Å; R11-L15 WeakPolarHBondContact O-CB 3.31Å; R11-L15 WeakPolarHBondContact O-CG 3.38Å; R11-L15 PolarHBondContact O-N 3.21Å
12T94.8Very high91.4Very high6 Ų670.8 Ų70.84%0.03733%0.329CS..Hα-helixtrans-63.6-44.2179.6-59.10000112N8 Y9 R10 L15 Y16 L161 I164N8-T12 PolarHBondContact O-N 3.03Å; N8-T12 PolarHBondContact O-OG1 3.39Å; Y9-T12 PolarHBondContact O-N 3.24Å; R10-T12 VanDerWaalsContact C-N 3.34Å; R10-T12 PolarHBondContact O-N 3.34Å; T12-L15 PolarHBondContact O-N 3.37Å; T12-Y16 HydrophobicContact CG2-CD2 4.21Å; T12-Y16 HydrophobicContact CG2-CE2 3.71Å; T12-Y16 PolarHBondContact O-N 3.4Å; T12-Y16 VanDerWaalsContact O-N 3.11Å; T12-L161 HydrophobicContact CG2-CD2 3.88Å; T12-I164 HydrophobicContact CG2-CD1 4.4Å; T12-I164 HydrophobicContact CG2-CG1 3.89Å
13I94.5Very high91.9Very high4 Ų467 Ų672%0.02131%0.312CS..Hα-helixtrans-67.3-45.7179-67.4168.1000110.7Y9 R10 L15 Y16 D17 L22 T24 L27 L54Y9-I13 WeakPolarHBondContact O-CB 3.32Å; Y9-I13 VanDerWaalsContact O-CG1 3.31Å; Y9-I13 WeakPolarHBondContact O-CG1 3.43Å; Y9-I13 PolarHBondContact O-N 3.22Å; R10-I13 PolarHBondContact O-N 3.24Å; I13-L15 VanDerWaalsContact C-N 3.28Å; I13-L15 PolarHBondContact O-N 3.12Å; I13-Y16 PolarHBondContact O-N 3.44Å; I13-D17 PolarHBondContact O-N 3.18Å; I13-L22 HydrophobicContact CG2-CD2 4.3Å; I13-T24 HydrophobicContact CG2-CG2 3.65Å; I13-L27 HydrophobicContact CD1-CD2 4.36Å; I13-L54 HydrophobicContact CD1-CD2 3.6Å
14D93.6Very high91.9Very high68 Ų6861.9 Ų61.936%0.36429%0.287SS..Hα-helixtrans-59.9-38.8178-66.3-8000111.1R10 T18R10-D14 WeakPolarHBondContact CG-OD2 3.31Å; R10-D14 IonicContact NE-OD2 3.39Å; R10-D14 PolarHBondContact NE-OD2 3.2Å; R10-D14 VanDerWaalsContact O-CB 3.29Å; R10-D14 WeakPolarHBondContact O-CB 3.42Å; R10-D14 PolarHBondContact O-N 3.26Å; D14-T18 WeakPolarHBondContact O-CB 3.46Å; D14-T18 PolarHBondContact O-N 3.18Å; D14-T18 PolarHBondContact O-OG1 3.16Å
15L93.2Very high91.7Very high65 Ų6559.8 Ų59.834%0.3428%0.284SS..Hα-helixtrans-63.9-41.6173.8-76.5170.1000112R11 T12 I13 H19 I164R11-L15 WeakPolarHBondContact O-CB 3.31Å; R11-L15 WeakPolarHBondContact O-CG 3.38Å; R11-L15 PolarHBondContact O-N 3.21Å; T12-L15 PolarHBondContact O-N 3.37Å; I13-L15 VanDerWaalsContact C-N 3.28Å; I13-L15 PolarHBondContact O-N 3.12Å; L15-H19 PolarHBondContact O-CD2 3.4Å; L15-H19 PolarHBondContact O-N 3.46Å; L15-I164 HydrophobicContact CD1-CD1 3.81Å
16Y92.9Very high91.8Very high7 Ų759.7 Ų59.73%0.02729%0.291CS..Hα-helixtrans-70.2-36.9178.9-68.2-19000113.1T12 I13 F20 G21 L22 P150 I164 V168T12-Y16 HydrophobicContact CG2-CD2 4.21Å; T12-Y16 HydrophobicContact CG2-CE2 3.71Å; T12-Y16 PolarHBondContact O-N 3.4Å; T12-Y16 VanDerWaalsContact O-N 3.11Å; I13-Y16 PolarHBondContact O-N 3.44Å; Y16-F20 AromaticContact CD1-CD2 3.74Å; Y16-F20 HydrophobicContact CD1-CD2 3.74Å; Y16-F20 AromaticContact CD1-CE2 3.86Å; Y16-F20 HydrophobicContact CD1-CE2 3.86Å; Y16-F20 HydrophobicContact CE1-CD2 4.46Å; Y16-F20 HydrophobicContact CE1-CE2 4.22Å; Y16-F20 HydrophobicContact CG-CD2 4.46Å; Y16-F20 CarbonylContact O-C 3.51Å; Y16-F20 WeakPolarHBondContact O-CA 3.41Å; Y16-F20 WeakPolarHBondContact O-CB 3.46Å; Y16-F20 PolarHBondContact O-N 2.9Å; Y16-G21 PolarHBondContact O-N 2.91Å; Y16-G21 VanDerWaalsContact O-N 3.13Å; Y16-L22 HydrophobicContact CD2-CD2 4.48Å; Y16-L22 PolarHBondContact O-N 3.42Å; Y16-P150 HydrophobicContact CD2-CB 4.08Å; Y16-P150 HydrophobicContact CD2-CG 4.29Å; Y16-P150 HydrophobicContact CE2-CB 4.03Å; Y16-I164 HydrophobicContact CE1-CG1 4.28Å; Y16-I164 HydrophobicContact CE1-CG2 4.48Å; Y16-V168 HydrophobicContact CE1-CG1 4.25Å
17D91.3Very high91.9Very high41 Ų4157.8 Ų57.822%0.21928%0.28CS..Hα-helixtrans-60.9-53.5171.1-169.8-8000110.2I13 H19 G21 T24I13-D17 PolarHBondContact O-N 3.18Å; D17-H19 PolarHBondContact O-N 3.27Å; D17-G21 WeakPolarHBondContact O-CA 3.42Å; D17-G21 PolarHBondContact O-N 3.48Å; D17-T24 HydrophobicContact CB-CG2 3.89Å; D17-T24 WeakPolarHBondContact OD2-CG2 3.49Å; D17-T24 PolarHBondContact OD2-OG1 3.01Å
18T89.2Confident92Very high93 Ų9355.8 Ų55.857%0.57127%0.272SS*.Hα-helixtrans-61.8-45.7-174.8-55.60000113.2D14D14-T18 WeakPolarHBondContact O-CB 3.46Å; D14-T18 PolarHBondContact O-N 3.18Å; D14-T18 PolarHBondContact O-OG1 3.16Å
19H88.3Confident92.2Very high73 Ų7352.3 Ų52.334%0.33825%0.253SS..Hα-helixtrans-100-23.9-170.7-68.3-72000115.3L15 D17 L172 K175L15-H19 PolarHBondContact O-CD2 3.4Å; L15-H19 PolarHBondContact O-N 3.46Å; D17-H19 PolarHBondContact O-N 3.27Å; H19-L172 HydrophobicContact CB-CD2 3.71Å; H19-K175 PolarHBondContact O-NZ 3.13Å
20F88.8Confident92.3Very high26 Ų2652.1 Ų52.111%0.11425%0.253CS..Hα-helixtrans-119.8-9.3-176.8-53.7-65.6000112.9Y16 L129 P147 V168 L172Y16-F20 AromaticContact CD1-CD2 3.74Å; Y16-F20 HydrophobicContact CD1-CD2 3.74Å; Y16-F20 AromaticContact CD1-CE2 3.86Å; Y16-F20 HydrophobicContact CD1-CE2 3.86Å; Y16-F20 HydrophobicContact CE1-CD2 4.46Å; Y16-F20 HydrophobicContact CE1-CE2 4.22Å; Y16-F20 HydrophobicContact CG-CD2 4.46Å; Y16-F20 CarbonylContact O-C 3.51Å; Y16-F20 WeakPolarHBondContact O-CA 3.41Å; Y16-F20 WeakPolarHBondContact O-CB 3.46Å; Y16-F20 PolarHBondContact O-N 2.9Å; F20-L129 HydrophobicContact CB-CD1 3.82Å; F20-L129 WeakPolarHBondContact O-CD1 3.36Å; F20-P147 HydrophobicContact CD1-CB 3.98Å; F20-P147 HydrophobicContact CD1-CG 4.5Å; F20-P147 HydrophobicContact CE1-CB 3.62Å; F20-P147 HydrophobicContact CE1-CG 4.39Å; F20-P147 HydrophobicContact CZ-CB 3.93Å; F20-V168 HydrophobicContact CE2-CG1 3.77Å; F20-V168 HydrophobicContact CZ-CG1 3.72Å; F20-L172 HydrophobicContact CE2-CD2 3.99Å; F20-L172 HydrophobicContact CE2-CG 4.45Å; F20-L172 HydrophobicContact CZ-CD2 3.89Å; F20-L172 HydrophobicContact CZ-CG 4.27Å
21G87.8Confident92.5Very high10 Ų1045.1 Ų45.110%0.10323%0.227CC..  trans76.430.3178.300000113.4Y16 D17 K23 S127Y16-G21 PolarHBondContact O-N 2.91Å; Y16-G21 VanDerWaalsContact O-N 3.13Å; D17-G21 WeakPolarHBondContact O-CA 3.42Å; D17-G21 PolarHBondContact O-N 3.48Å; G21-K23 PolarHBondContact O-N 3.15Å; G21-S127 WeakPolarHBondContact O-CB 3.48Å; G21-S127 PolarHBondContact O-OG 3.3Å
22L90.8Very high92.6Very high0 Ų037.4 Ų37.40%020%0.198CC..  trans-56.7124.7172.4178.368.9000110.2I13 Y16 T24 L27 L129 P150I13-L22 HydrophobicContact CG2-CD2 4.3Å; Y16-L22 HydrophobicContact CD2-CD2 4.48Å; Y16-L22 PolarHBondContact O-N 3.42Å; L22-T24 PolarHBondContact O-N 2.91Å; L22-L27 HydrophobicContact CD1-CD1 3.91Å; L22-L27 HydrophobicContact CD2-CD1 3.87Å; L22-L27 HydrophobicContact CG-CD1 3.94Å; L22-L129 HydrophobicContact CD1-CB 3.8Å; L22-P150 HydrophobicContact CD1-CG 4.48Å; L22-P150 HydrophobicContact CD2-CG 3.82Å
23K89.4Confident92.6Very high100 Ų10037.3 Ų37.344%0.43520%0.198SC..  trans-73.4117.7176.9-69.8172.7-180161.70109.6G21 L27 S127G21-K23 PolarHBondContact O-N 3.15Å; K23-L27 WeakPolarHBondContact O-CA 3.3Å; K23-S127 VanDerWaalsContact CE-O 3.32Å; K23-S127 WeakPolarHBondContact CE-O 3.3Å; K23-S127 PolarHBondContact NZ-O 3.35Å
24T89.3Confident92.6Very high16 Ų1639.4 Ų39.410%0.09821%0.21CC..  trans-103-16.2-176.347.40000113.7I13 D17 L22 P26 L27 E57I13-T24 HydrophobicContact CG2-CG2 3.65Å; D17-T24 HydrophobicContact CB-CG2 3.89Å; D17-T24 WeakPolarHBondContact OD2-CG2 3.49Å; D17-T24 PolarHBondContact OD2-OG1 3.01Å; L22-T24 PolarHBondContact O-N 2.91Å; T24-P26 VanDerWaalsContact C-C 3.47Å; T24-P26 CarbonylContact O-C 3.41Å; T24-P26 WeakPolarHBondContact O-CA 3.43Å; T24-L27 PolarHBondContact O-N 3.16Å; T24-E57 VanDerWaalsContact O-O 3.07Å
25N87.8Confident92.8Very high129 Ų12936.1 Ų36.169%0.6919%0.193SC*.THydrogen-bonded Turntrans-124.681.2-176-64.3-29.2000111.4
26P93.2Very high93Very high56 Ų5633 Ų3336%0.36418%0.177SC..THydrogen-bonded Turncis-92.4151.8-2.534.8-33.1000113.3T24 E28 E57 T59T24-P26 VanDerWaalsContact C-C 3.47Å; T24-P26 CarbonylContact O-C 3.41Å; T24-P26 WeakPolarHBondContact O-CA 3.43Å; P26-E28 PolarHBondContact O-N 3.12Å; P26-E57 HydrophobicContact CB-CB 4.47Å; P26-T59 HydrophobicContact CB-CG2 3.83Å; P26-T59 HydrophobicContact CG-CG2 3.76Å
27L95.1Very high93.1Very high0 Ų037.4 Ų37.40%019%0.193CC..EExtended strand (participates in β ladder)trans-70.3112169.8-178.966000110.1I13 L22 K23 T24 I29 L54 E57 F58 T59 A131I13-L27 HydrophobicContact CD1-CD2 4.36Å; L22-L27 HydrophobicContact CD1-CD1 3.91Å; L22-L27 HydrophobicContact CD2-CD1 3.87Å; L22-L27 HydrophobicContact CG-CD1 3.94Å; K23-L27 WeakPolarHBondContact O-CA 3.3Å; T24-L27 PolarHBondContact O-N 3.16Å; L27-I29 HydrophobicContact CD2-CD1 4.47Å; L27-I29 HydrophobicContact CD2-CG1 4.32Å; L27-I29 HydrophobicContact CG-CG1 4.21Å; L27-I29 PolarHBondContact O-N 3.46Å; L27-L54 HydrophobicContact CD2-CD1 4.34Å; L27-E57 PolarHBondContact N-O 3.48Å; L27-F58 HydrophobicContact CB-CB 4.24Å; L27-F58 CarbonylContact O-C 3.54Å; L27-F58 WeakPolarHBondContact O-CA 3.34Å; L27-F58 WeakPolarHBondContact O-CB 3.47Å; L27-T59 PolarHBondContact O-N 3.29Å; L27-A131 HydrophobicContact CD1-CB 4.31Å; L27-A131 HydrophobicContact CD2-CB 4.37Å; L27-A131 HydrophobicContact CG-CB 4.36Å
28E95.8Very high93.4Very high81 Ų8138.3 Ų38.338%0.37920%0.196SC..EExtended strand (participates in β ladder)trans-76120.5173.9-61.6-169.1158.800110P26 V61 F130 A131P26-E28 PolarHBondContact O-N 3.12Å; E28-V61 HydrophobicContact CB-CG2 4.46Å; E28-F130 HydrophobicContact CB-CB 4.21Å; E28-F130 WeakPolarHBondContact O-CB 3.31Å; E28-A131 PolarHBondContact O-N 3.28Å
29I97.4Very high93.8Very high0 Ų033.9 Ų33.90%017%0.169CC..EExtended strand (participates in β ladder)trans-111.8110.2177.6-49.6-179.6000108.6L27 V31 F50 L54 F58 T59 L60 V61 A131 A133 F152L27-I29 HydrophobicContact CD2-CD1 4.47Å; L27-I29 HydrophobicContact CD2-CG1 4.32Å; L27-I29 HydrophobicContact CG-CG1 4.21Å; L27-I29 PolarHBondContact O-N 3.46Å; I29-V31 HydrophobicContact CG2-CG2 4.47Å; I29-V31 PolarHBondContact O-N 3.25Å; I29-F50 HydrophobicContact CD1-CD1 3.96Å; I29-F50 HydrophobicContact CD1-CD2 4.39Å; I29-F50 HydrophobicContact CD1-CE1 3.9Å; I29-F50 HydrophobicContact CD1-CE2 4.32Å; I29-F50 HydrophobicContact CD1-CG 4.21Å; I29-F50 HydrophobicContact CD1-CZ 4.09Å; I29-F50 HydrophobicContact CG2-CE2 4.39Å; I29-F50 HydrophobicContact CG2-CZ 4.04Å; I29-L54 HydrophobicContact CD1-CD1 3.75Å; I29-F58 HydrophobicContact CD1-CB 3.87Å; I29-F58 HydrophobicContact CD1-CD2 4.02Å; I29-F58 HydrophobicContact CD1-CG 4.09Å; I29-F58 HydrophobicContact CG1-CB 4.29Å; I29-T59 PolarHBondContact N-O 3.05Å; I29-L60 HydrophobicContact CB-CD2 4Å; I29-L60 HydrophobicContact CD1-CD2 4.19Å; I29-L60 HydrophobicContact CG2-CD2 4.33Å; I29-V61 PolarHBondContact O-N 3.36Å; I29-A131 CarbonylContact C-O 3.51Å; I29-A131 WeakPolarHBondContact CA-O 3.35Å; I29-A131 HydrophobicContact CB-CB 4.32Å; I29-A131 HydrophobicContact CG1-CB 4.01Å; I29-A131 HydrophobicContact CG2-CB 4.24Å; I29-A133 HydrophobicContact CG2-CB 3.74Å; I29-F152 HydrophobicContact CD1-CE2 4.22Å; I29-F152 HydrophobicContact CG2-CD2 4.21Å
30L97.4Very high94.1Very high6 Ų633.2 Ų33.23%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-80.8110.4176.7-175.967.1000110V61 I106 F130 A131 L132 A133L30-V61 CarbonylContact C-O 3.55Å; L30-V61 WeakPolarHBondContact CA-O 3.47Å; L30-V61 HydrophobicContact CD1-CG1 4.48Å; L30-I106 HydrophobicContact CD2-CG1 4.23Å; L30-I106 HydrophobicContact CD2-CG2 4.07Å; L30-F130 HydrophobicContact CB-CD2 3.77Å; L30-F130 HydrophobicContact CB-CE2 3.87Å; L30-F130 HydrophobicContact CD2-CD2 4.35Å; L30-F130 HydrophobicContact CD2-CE2 3.65Å; L30-F130 HydrophobicContact CD2-CZ 4.14Å; L30-F130 HydrophobicContact CG-CE2 4.43Å; L30-A131 PolarHBondContact N-O 2.89Å; L30-L132 HydrophobicContact CD2-CD1 4.5Å; L30-A133 PolarHBondContact O-N 3.31Å
31V97.7Very high94.5Very high0 Ų036.3 Ų36.30%019%0.188CC..EExtended strand (participates in β ladder)trans-95125.9-179.4-174.30000110.7I29 F35 L60 V61 T62 L84 Y87 A133I29-V31 HydrophobicContact CG2-CG2 4.47Å; I29-V31 PolarHBondContact O-N 3.25Å; V31-F35 HydrophobicContact CG1-CB 4.35Å; V31-F35 HydrophobicContact CG1-CD1 3.74Å; V31-F35 HydrophobicContact CG1-CG 4.42Å; V31-L60 HydrophobicContact CG2-CD2 4.12Å; V31-V61 PolarHBondContact N-O 2.86Å; V31-T62 PolarHBondContact O-OG1 3.1Å; V31-L84 HydrophobicContact CB-CD2 4.19Å; V31-L84 HydrophobicContact CG1-CD2 3.84Å; V31-Y87 HydrophobicContact CB-CD2 4.36Å; V31-Y87 HydrophobicContact CB-CE2 4.37Å; V31-Y87 HydrophobicContact CG1-CE2 4.28Å; V31-Y87 HydrophobicContact CG2-CD2 4.35Å; V31-Y87 HydrophobicContact CG2-CE2 4.26Å; V31-A133 HydrophobicContact CG2-CB 4.24Å
32D95.7Very high94.9Very high4 Ų437.3 Ų37.32%0.02119%0.19CC..  trans-93.1161.9177.6-174.532.5000113.1T34 F35 A36 I106 A133 S134D32-T34 VanDerWaalsContact C-N 3.31Å; D32-T34 PolarHBondContact O-N 3.33Å; D32-T34 PolarHBondContact OD2-OG1 3.12Å; D32-F35 PolarHBondContact O-N 3.48Å; D32-A36 PolarHBondContact O-N 3.41Å; D32-A36 VanDerWaalsContact O-N 3.09Å; D32-I106 HydrophobicContact CB-CD1 4.17Å; D32-I106 WeakPolarHBondContact OD1-CD1 3.48Å; D32-A133 PolarHBondContact N-O 3.38Å; D32-S134 PolarHBondContact OD2-OG 3.45Å; D32-S134 VanDerWaalsContact OD2-OG 3.06Å
33S95.2Very high95.1Very high5 Ų545.7 Ų45.74%0.03523%0.229CC..Hα-helixtrans-58.9-41.317862.10000112.1F35 A36 R37 C70S33-F35 VanDerWaalsContact C-N 3.34Å; S33-F35 PolarHBondContact O-N 3.31Å; S33-A36 PolarHBondContact O-N 3.04Å; S33-R37 WeakPolarHBondContact O-CB 3.43Å; S33-R37 PolarHBondContact O-N 3.3Å; S33-C70 WeakPolarHBondContact CB-SG 3.49Å
34T95.8Very high95.4Very high47 Ų4742.1 Ų42.129%0.28822%0.215SC..Hα-helixtrans-61.6-40.917860.90000112.3D32 Q38 S134 N135 D136D32-T34 VanDerWaalsContact C-N 3.31Å; D32-T34 PolarHBondContact O-N 3.33Å; D32-T34 PolarHBondContact OD2-OG1 3.12Å; T34-Q38 WeakPolarHBondContact O-CB 3.26Å; T34-Q38 PolarHBondContact O-N 2.84Å; T34-S134 PolarHBondContact OG1-OG 3.03Å; T34-N135 PolarHBondContact OG1-N 3.26Å; T34-D136 HydrophobicContact CG2-CB 4.35Å
35F97.5Very high95.7Very high0 Ų046 Ų460%023%0.232CC..Hα-helixtrans-68.9-45178.1-172.3-88.5000111.4V31 D32 S33 R37 Q38 A39 I46 F50 A133 F152 I154 I159V31-F35 HydrophobicContact CG1-CB 4.35Å; V31-F35 HydrophobicContact CG1-CD1 3.74Å; V31-F35 HydrophobicContact CG1-CG 4.42Å; D32-F35 PolarHBondContact O-N 3.48Å; S33-F35 VanDerWaalsContact C-N 3.34Å; S33-F35 PolarHBondContact O-N 3.31Å; F35-R37 VanDerWaalsContact C-N 3.35Å; F35-R37 PolarHBondContact O-N 2.87Å; F35-Q38 PolarHBondContact O-N 2.78Å; F35-A39 WeakPolarHBondContact O-CB 3.03Å; F35-A39 PolarHBondContact O-N 3.39Å; F35-I46 HydrophobicContact CD1-CD1 4.11Å; F35-I46 HydrophobicContact CE1-CD1 4.09Å; F35-I46 HydrophobicContact CE1-CG1 4.16Å; F35-I46 HydrophobicContact CE1-CG2 3.95Å; F35-F50 HydrophobicContact CE1-CE2 4.32Å; F35-F50 HydrophobicContact CE1-CZ 4.48Å; F35-F50 HydrophobicContact CZ-CE2 4.3Å; F35-F50 HydrophobicContact CZ-CZ 4.05Å; F35-A133 VanDerWaalsContact CB-O 3.29Å; F35-A133 WeakPolarHBondContact CB-O 3.09Å; F35-A133 HydrophobicContact CD1-CB 4.14Å; F35-A133 HydrophobicContact CD2-CB 3.96Å; F35-A133 HydrophobicContact CE1-CB 4.09Å; F35-A133 HydrophobicContact CE2-CB 3.89Å; F35-A133 HydrophobicContact CG-CB 4.06Å; F35-A133 HydrophobicContact CZ-CB 3.96Å; F35-F152 HydrophobicContact CE2-CB 4.34Å; F35-I154 HydrophobicContact CD1-CD1 3.87Å; F35-I154 HydrophobicContact CD2-CD1 3.89Å; F35-I154 HydrophobicContact CD2-CG1 4.01Å; F35-I154 HydrophobicContact CE1-CD1 3.68Å; F35-I154 HydrophobicContact CE1-CG1 4.29Å; F35-I154 HydrophobicContact CE2-CD1 3.71Å; F35-I154 HydrophobicContact CE2-CG1 3.52Å; F35-I154 HydrophobicContact CG-CD1 3.99Å; F35-I154 HydrophobicContact CZ-CD1 3.6Å; F35-I154 HydrophobicContact CZ-CG1 3.68Å; F35-I154 WeakPolarHBondContact O-CD1 3.15Å; F35-I159 HydrophobicContact CE1-CD1 4.44Å; F35-I159 HydrophobicContact CE2-CG2 4.45Å; F35-I159 HydrophobicContact CZ-CD1 3.95Å; F35-I159 HydrophobicContact CZ-CG1 4.01Å; F35-I159 HydrophobicContact CZ-CG2 4.1Å
36A97Very high96.1Very high0 Ų040 Ų400%020%0.2CC..Hα-helixtrans-61.2-43176.100000111.8D32 S33 A39 L40 A80 L84D32-A36 PolarHBondContact O-N 3.41Å; D32-A36 VanDerWaalsContact O-N 3.09Å; S33-A36 PolarHBondContact O-N 3.04Å; A36-A39 WeakPolarHBondContact O-CB 3.44Å; A36-A39 PolarHBondContact O-N 2.91Å; A36-L40 PolarHBondContact O-N 3.43Å; A36-L40 VanDerWaalsContact O-N 3.14Å; A36-A80 HydrophobicContact CB-CB 4.09Å; A36-L84 HydrophobicContact CB-CD1 4.25Å; A36-L84 HydrophobicContact CB-CD2 4.03Å; A36-L84 HydrophobicContact CB-CG 3.99Å
37R95.8Very high96.2Very high99 Ų9940.9 Ų40.937%0.37420%0.199SC..Hα-helixtrans-62.5-44.7174.8-179.662.5-176.1-176.56.5111.7S33 F35 A39 L40 V41 L76 F77S33-R37 WeakPolarHBondContact O-CB 3.43Å; S33-R37 PolarHBondContact O-N 3.3Å; F35-R37 VanDerWaalsContact C-N 3.35Å; F35-R37 PolarHBondContact O-N 2.87Å; R37-A39 VanDerWaalsContact C-N 3.3Å; R37-A39 PolarHBondContact O-N 3.37Å; R37-L40 WeakPolarHBondContact O-CB 3.37Å; R37-L40 PolarHBondContact O-N 3.27Å; R37-V41 WeakPolarHBondContact O-CG2 3.46Å; R37-V41 PolarHBondContact O-N 3.03Å; R37-L76 PolarHBondContact NH1-O 3.26Å; R37-F77 HydrophobicContact CB-CD1 4.46Å; R37-F77 HydrophobicContact CB-CE1 3.85Å; R37-F77 HydrophobicContact CB-CZ 4.42Å; R37-F77 HydrophobicContact CG-CE1 4.19Å; R37-F77 HydrophobicContact CG-CZ 4.31Å
38Q96.9Very high96.2Very high59 Ų5946.3 Ų46.328%0.27623%0.225SC..Hα-helixtrans-64.7-36.2178.4-170.471.3-9.500112.1T34 F35 L40 V41 Q42 N135 I154T34-Q38 WeakPolarHBondContact O-CB 3.26Å; T34-Q38 PolarHBondContact O-N 2.84Å; F35-Q38 PolarHBondContact O-N 2.78Å; Q38-L40 VanDerWaalsContact C-N 3.34Å; Q38-V41 PolarHBondContact O-N 2.77Å; Q38-Q42 WeakPolarHBondContact O-CB 3.46Å; Q38-Q42 WeakPolarHBondContact O-CG 3.29Å; Q38-Q42 PolarHBondContact O-N 3.06Å; Q38-N135 WeakPolarHBondContact CG-ND2 3.43Å; Q38-I154 HydrophobicContact CB-CB 4.34Å; Q38-I154 HydrophobicContact CB-CD1 4.42Å; Q38-I154 HydrophobicContact CB-CG2 4.44Å; Q38-I154 HydrophobicContact CG-CB 3.76Å; Q38-I154 HydrophobicContact CG-CG2 3.58Å
39A97.1Very high96.2Very high0 Ų045.2 Ų45.20%022%0.219CC..Hα-helixtrans-60.9-43.5174.700000111.5F35 A36 R37 Q42 Q43 L44 I46 I154F35-A39 WeakPolarHBondContact O-CB 3.03Å; F35-A39 PolarHBondContact O-N 3.39Å; A36-A39 WeakPolarHBondContact O-CB 3.44Å; A36-A39 PolarHBondContact O-N 2.91Å; R37-A39 VanDerWaalsContact C-N 3.3Å; R37-A39 PolarHBondContact O-N 3.37Å; A39-Q42 CarbonylContact O-C 3.55Å; A39-Q42 PolarHBondContact O-N 2.92Å; A39-Q43 PolarHBondContact O-N 3.07Å; A39-L44 HydrophobicContact CB-CB 4.41Å; A39-L44 PolarHBondContact O-N 3.44Å; A39-I46 HydrophobicContact CB-CD1 3.67Å; A39-I46 HydrophobicContact CB-CG1 3.54Å; A39-I154 HydrophobicContact CB-CD1 3.65Å
40L95.8Very high96.1Very high59 Ų5945.2 Ų45.231%0.30922%0.219SC..Hα-helixtrans-62.2-48.4175.5-75.5170.8000112.3A36 R37 Q38 Q42 Q43 A79 A80 I83A36-L40 PolarHBondContact O-N 3.43Å; A36-L40 VanDerWaalsContact O-N 3.14Å; R37-L40 WeakPolarHBondContact O-CB 3.37Å; R37-L40 PolarHBondContact O-N 3.27Å; Q38-L40 VanDerWaalsContact C-N 3.34Å; L40-Q42 PolarHBondContact O-N 3.31Å; L40-Q43 PolarHBondContact O-N 3.15Å; L40-A79 HydrophobicContact CD1-CB 3.67Å; L40-A80 HydrophobicContact CD1-CB 4.02Å; L40-I83 HydrophobicContact CD1-CD1 4.07Å; L40-I83 HydrophobicContact CD2-CD1 3.5Å; L40-I83 VanDerWaalsContact CD2-CD1 3.5Å; L40-I83 HydrophobicContact CG-CD1 3.71Å
41V95.6Very high95.9Very high91 Ų9151 Ų5155%0.55224%0.244SC*.Hα-helixtrans-59.3-38.1179.1172.60000111.4R37 Q38 Q43R37-V41 WeakPolarHBondContact O-CG2 3.46Å; R37-V41 PolarHBondContact O-N 3.03Å; Q38-V41 PolarHBondContact O-N 2.77Å; V41-Q43 VanDerWaalsContact C-N 3.34Å
42Q95.9Very high95.7Very high32 Ų3255.5 Ų55.515%0.1528%0.275CS..THydrogen-bonded Turntrans-90.35179.5-63.6-169.611.300114.1Q38 A39 L40 L44 I154 R157Q38-Q42 WeakPolarHBondContact O-CB 3.46Å; Q38-Q42 WeakPolarHBondContact O-CG 3.29Å; Q38-Q42 PolarHBondContact O-N 3.06Å; A39-Q42 CarbonylContact O-C 3.55Å; A39-Q42 PolarHBondContact O-N 2.92Å; L40-Q42 PolarHBondContact O-N 3.31Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 HydrophobicContact CB-CD1 3.95Å; Q42-L44 HydrophobicContact CB-CG 3.89Å; Q42-L44 PolarHBondContact O-N 2.96Å; Q42-I154 HydrophobicContact CB-CG2 4.46Å; Q42-I154 HydrophobicContact CG-CG2 4.25Å; Q42-R157 HydrophobicContact CB-CG 4.29Å
43Q95.5Very high95.5Very high175 Ų17555.9 Ų55.982%0.81828%0.277SS*.THydrogen-bonded Turntrans52.847.2-177.7-60.8178-29.800112.8A39 L40 V41A39-Q43 PolarHBondContact O-N 3.07Å; L40-Q43 PolarHBondContact O-N 3.15Å; V41-Q43 VanDerWaalsContact C-N 3.34Å
44L95.7Very high95.4Very high26 Ų2656.2 Ų56.214%0.13628%0.279CS..  trans-106126.1-178.7-61.1177.4000111.7A39 Q42 I46 I154 R157A39-L44 HydrophobicContact CB-CB 4.41Å; A39-L44 PolarHBondContact O-N 3.44Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 HydrophobicContact CB-CD1 3.95Å; Q42-L44 HydrophobicContact CB-CG 3.89Å; Q42-L44 PolarHBondContact O-N 2.96Å; L44-I46 PolarHBondContact O-N 3.3Å; L44-I154 HydrophobicContact CD1-CG1 4.39Å; L44-I154 HydrophobicContact CD1-CG2 3.62Å; L44-R157 HydrophobicContact CD2-CB 4.31Å; L44-R157 VanDerWaalsContact CD2-O 3.26Å; L44-R157 WeakPolarHBondContact CD2-O 3.11Å
45H95.7Very high95.1Very high96 Ų9657.9 Ų57.944%0.44429%0.292SS..  trans-78.9108.6165.6-166.4-36.5000109.7Q48 Q49H45-Q48 HydrophobicContact CB-CB 4.11Å; H45-Q48 HydrophobicContact CB-CG 4.19Å; H45-Q48 VanDerWaalsContact CD2-CD 3.41Å; H45-Q48 PolarHBondContact CD2-NE2 3.2Å; H45-Q49 WeakPolarHBondContact O-CG 3.34Å; H45-Q49 PolarHBondContact O-N 3.03Å
46I96.5Very high94.7Very high5 Ų559.4 Ų59.43%0.02630%0.303CS..Hα-helixtrans-58.7-54.5-172.7-63.6172.8000111.5F35 A39 L44 Q48 Q49 F50 L60 I83 I159F35-I46 HydrophobicContact CD1-CD1 4.11Å; F35-I46 HydrophobicContact CE1-CD1 4.09Å; F35-I46 HydrophobicContact CE1-CG1 4.16Å; F35-I46 HydrophobicContact CE1-CG2 3.95Å; A39-I46 HydrophobicContact CB-CD1 3.67Å; A39-I46 HydrophobicContact CB-CG1 3.54Å; L44-I46 PolarHBondContact O-N 3.3Å; I46-Q48 PolarHBondContact O-N 3.27Å; I46-Q49 PolarHBondContact O-N 3.03Å; I46-F50 HydrophobicContact CG2-CD2 3.62Å; I46-F50 HydrophobicContact CG2-CE2 3.46Å; I46-F50 VanDerWaalsContact CG2-CE2 3.46Å; I46-F50 WeakPolarHBondContact O-CD2 3.44Å; I46-F50 PolarHBondContact O-N 3.16Å; I46-L60 HydrophobicContact CG2-CD1 4.11Å; I46-I83 HydrophobicContact CD1-CG2 4.26Å; I46-I159 HydrophobicContact CG2-CD1 4.39Å
47E95.3Very high94.6Very high73 Ų7366.1 Ų66.134%0.34133%0.334SS..Hα-helixtrans-60.8-45.2-177-165-169.8159.400113Q49 F50 K51 F58 L60E47-Q49 VanDerWaalsContact C-N 3.35Å; E47-Q49 PolarHBondContact O-N 3.41Å; E47-F50 PolarHBondContact O-N 3.33Å; E47-K51 WeakPolarHBondContact O-CG 3.2Å; E47-K51 PolarHBondContact O-N 3.1Å; E47-K51 WeakPolarHBondContact OE1-CE 3.41Å; E47-K51 IonicContact OE1-NZ 2.73Å; E47-K51 PolarHBondContact OE1-NZ 3.34Å; E47-F58 HydrophobicContact CG-CE2 4.31Å; E47-F58 HydrophobicContact CG-CZ 4.25Å; E47-L60 HydrophobicContact CB-CD1 4.13Å; E47-L60 HydrophobicContact CG-CD1 4.32Å
48Q94.9Very high94.6Very high115 Ų11563.2 Ų63.254%0.53732%0.324SS..Hα-helixtrans-62.1-41.4177.4-68.3-179.5-6.800112.1H45 I46 K51 C52H45-Q48 HydrophobicContact CB-CB 4.11Å; H45-Q48 HydrophobicContact CB-CG 4.19Å; H45-Q48 VanDerWaalsContact CD2-CD 3.41Å; H45-Q48 PolarHBondContact CD2-NE2 3.2Å; I46-Q48 PolarHBondContact O-N 3.27Å; Q48-K51 PolarHBondContact O-N 2.89Å; Q48-C52 PolarHBondContact O-N 3.09Å; Q48-C52 PolarHBondContact O-SG 2.92Å
49Q94.8Very high94.6Very high57 Ų5762.5 Ų62.527%0.26632%0.324SS..Hα-helixtrans-62.7-43.3176.3-81-69.7-37.200111.9H45 I46 E47 C52 T53 I159H45-Q49 WeakPolarHBondContact O-CG 3.34Å; H45-Q49 PolarHBondContact O-N 3.03Å; I46-Q49 PolarHBondContact O-N 3.03Å; E47-Q49 VanDerWaalsContact C-N 3.35Å; E47-Q49 PolarHBondContact O-N 3.41Å; Q49-C52 PolarHBondContact O-N 3.35Å; Q49-T53 WeakPolarHBondContact O-CB 3.37Å; Q49-T53 PolarHBondContact O-N 3.4Å; Q49-T53 VanDerWaalsContact O-N 3.16Å; Q49-T53 PolarHBondContact O-OG1 2.89Å; Q49-I159 HydrophobicContact CB-CD1 3.56Å; Q49-I159 HydrophobicContact CB-CG1 4.04Å; Q49-I159 HydrophobicContact CG-CD1 4.5Å
50F95.4Very high94.6Very high1 Ų163.3 Ų63.30%0.00433%0.328CS..Hα-helixtrans-63.4-44.5175-78.2-58.1000111.9I29 F35 I46 E47 C52 T53 L54 F58 L60 A133 F152 I159I29-F50 HydrophobicContact CD1-CD1 3.96Å; I29-F50 HydrophobicContact CD1-CD2 4.39Å; I29-F50 HydrophobicContact CD1-CE1 3.9Å; I29-F50 HydrophobicContact CD1-CE2 4.32Å; I29-F50 HydrophobicContact CD1-CG 4.21Å; I29-F50 HydrophobicContact CD1-CZ 4.09Å; I29-F50 HydrophobicContact CG2-CE2 4.39Å; I29-F50 HydrophobicContact CG2-CZ 4.04Å; F35-F50 HydrophobicContact CE1-CE2 4.32Å; F35-F50 HydrophobicContact CE1-CZ 4.48Å; F35-F50 HydrophobicContact CZ-CE2 4.3Å; F35-F50 HydrophobicContact CZ-CZ 4.05Å; I46-F50 HydrophobicContact CG2-CD2 3.62Å; I46-F50 HydrophobicContact CG2-CE2 3.46Å; I46-F50 VanDerWaalsContact CG2-CE2 3.46Å; I46-F50 WeakPolarHBondContact O-CD2 3.44Å; I46-F50 PolarHBondContact O-N 3.16Å; E47-F50 PolarHBondContact O-N 3.33Å; F50-C52 PolarHBondContact O-N 3.15Å; F50-T53 PolarHBondContact O-N 2.98Å; F50-L54 HydrophobicContact CB-CD1 4.27Å; F50-L54 HydrophobicContact CD1-CD1 3.65Å; F50-L54 HydrophobicContact CD1-CG 4.11Å; F50-L54 HydrophobicContact CE1-CD1 4.4Å; F50-L54 HydrophobicContact CG-CD1 4.31Å; F50-L54 WeakPolarHBondContact O-CB 3.4Å; F50-L54 PolarHBondContact O-N 2.65Å; F50-F58 HydrophobicContact CB-CD1 4.32Å; F50-F58 HydrophobicContact CB-CD2 4.3Å; F50-F58 HydrophobicContact CB-CE1 3.72Å; F50-F58 HydrophobicContact CB-CE2 3.7Å; F50-F58 HydrophobicContact CB-CZ 3.37Å; F50-F58 HydrophobicContact CG-CE2 4.41Å; F50-L60 HydrophobicContact CD2-CD2 3.79Å; F50-L60 HydrophobicContact CE2-CD2 3.85Å; F50-A133 HydrophobicContact CZ-CB 4.44Å; F50-F152 HydrophobicContact CE1-CB 4.29Å; F50-F152 AromaticContact CE1-CD1 3.86Å; F50-F152 HydrophobicContact CE1-CD1 3.86Å; F50-F152 AromaticContact CE1-CD2 3.86Å; F50-F152 HydrophobicContact CE1-CD2 3.86Å; F50-F152 HydrophobicContact CE1-CE1 4.08Å; F50-F152 HydrophobicContact CE1-CE2 4.07Å; F50-F152 AromaticContact CE1-CG 3.74Å; F50-F152 HydrophobicContact CE1-CG 3.74Å; F50-F152 HydrophobicContact CE1-CZ 4.2Å; F50-F152 HydrophobicContact CZ-CB 4.25Å; F50-F152 HydrophobicContact CZ-CD2 4.19Å; F50-F152 HydrophobicContact CZ-CG 4.13Å; F50-I159 HydrophobicContact CD1-CD1 4.27Å; F50-I159 HydrophobicContact CD2-CD1 3.9Å; F50-I159 HydrophobicContact CE1-CD1 4.13Å; F50-I159 HydrophobicContact CE1-CG2 3.78Å; F50-I159 HydrophobicContact CE2-CD1 3.76Å; F50-I159 HydrophobicContact CG-CD1 4.16Å; F50-I159 HydrophobicContact CZ-CD1 3.87Å; F50-I159 HydrophobicContact CZ-CG2 4.02Å
51K94.4Very high94.7Very high126 Ų12660.6 Ų60.655%0.54831%0.314SS..Hα-helixtrans-55.4-36.7174.3-75.8175.6-1791690113.2E47 Q48 F58E47-K51 WeakPolarHBondContact O-CG 3.2Å; E47-K51 PolarHBondContact O-N 3.1Å; E47-K51 WeakPolarHBondContact OE1-CE 3.41Å; E47-K51 IonicContact OE1-NZ 2.73Å; E47-K51 PolarHBondContact OE1-NZ 3.34Å; Q48-K51 PolarHBondContact O-N 2.89Å; K51-F58 HydrophobicContact CG-CE1 3.9Å; K51-F58 HydrophobicContact CG-CZ 3.86Å
52C92.7Very high94.7Very high96 Ų9656.3 Ų56.365%0.64929%0.288SS*.Hα-helixtrans-79.3-20.8179.6-66.90000113.9Q48 Q49 F50Q48-C52 PolarHBondContact O-N 3.09Å; Q48-C52 PolarHBondContact O-SG 2.92Å; Q49-C52 PolarHBondContact O-N 3.35Å; F50-C52 PolarHBondContact O-N 3.15Å
53T92.3Very high94.6Very high11 Ų1154.8 Ų54.87%0.06728%0.28CS..Hα-helixtrans-111.3-35.5-164.1-56.10000112.3Y9 Q49 F50Y9-T53 HydrophobicContact CD2-CG2 3.23Å; Y9-T53 HydrophobicContact CE2-CG2 3.21Å; Y9-T53 HydrophobicContact CG-CG2 4.46Å; Q49-T53 WeakPolarHBondContact O-CB 3.37Å; Q49-T53 PolarHBondContact O-N 3.4Å; Q49-T53 VanDerWaalsContact O-N 3.16Å; Q49-T53 PolarHBondContact O-OG1 2.89Å; F50-T53 PolarHBondContact O-N 2.98Å
54L93.1Very high94.5Very high13 Ų1348 Ų487%0.06825%0.253CS..  trans-92.3141.8175.1-57.1-178.6000109.7I13 L27 I29 F50 F58 F152I13-L54 HydrophobicContact CD1-CD2 3.6Å; L27-L54 HydrophobicContact CD2-CD1 4.34Å; I29-L54 HydrophobicContact CD1-CD1 3.75Å; F50-L54 HydrophobicContact CB-CD1 4.27Å; F50-L54 HydrophobicContact CD1-CD1 3.65Å; F50-L54 HydrophobicContact CD1-CG 4.11Å; F50-L54 HydrophobicContact CE1-CD1 4.4Å; F50-L54 HydrophobicContact CG-CD1 4.31Å; F50-L54 WeakPolarHBondContact O-CB 3.4Å; F50-L54 PolarHBondContact O-N 2.65Å; L54-F58 HydrophobicContact CD1-CB 4.35Å; L54-F58 HydrophobicContact CD1-CD1 4.13Å; L54-F58 HydrophobicContact CD1-CG 4.29Å; L54-F152 HydrophobicContact CD1-CZ 4.27Å; L54-F152 HydrophobicContact CD2-CE1 4.01Å; L54-F152 HydrophobicContact CD2-CZ 3.74Å
55S88.3Confident94.4Very high82 Ų8247.4 Ų47.457%0.57325%0.251SS*.SBendtrans-98.6-1.5175.2-54.40000112.9
56C90.8Very high94.3Very high32 Ų3242.9 Ų42.922%0.21623%0.229CC..SBendtrans-109.6161.5-179.952.80000111
57E94.2Very high94.2Very high140 Ų14043.6 Ų43.665%0.65423%0.233SC*.  trans-69.3139.8171.8-64.2-173.5166.800110.2T24 P26 L27T24-E57 VanDerWaalsContact O-O 3.07Å; P26-E57 HydrophobicContact CB-CB 4.47Å; L27-E57 PolarHBondContact N-O 3.48Å
58F95.8Very high94.1Very high39 Ų3944.2 Ų44.217%0.17124%0.238CC..EExtended strand (participates in β ladder)trans-136.6152.7-179.366-89.4000110.9L27 I29 E47 F50 K51 L54 L60L27-F58 HydrophobicContact CB-CB 4.24Å; L27-F58 CarbonylContact O-C 3.54Å; L27-F58 WeakPolarHBondContact O-CA 3.34Å; L27-F58 WeakPolarHBondContact O-CB 3.47Å; I29-F58 HydrophobicContact CD1-CB 3.87Å; I29-F58 HydrophobicContact CD1-CD2 4.02Å; I29-F58 HydrophobicContact CD1-CG 4.09Å; I29-F58 HydrophobicContact CG1-CB 4.29Å; E47-F58 HydrophobicContact CG-CE2 4.31Å; E47-F58 HydrophobicContact CG-CZ 4.25Å; F50-F58 HydrophobicContact CB-CD1 4.32Å; F50-F58 HydrophobicContact CB-CD2 4.3Å; F50-F58 HydrophobicContact CB-CE1 3.72Å; F50-F58 HydrophobicContact CB-CE2 3.7Å; F50-F58 HydrophobicContact CB-CZ 3.37Å; F50-F58 HydrophobicContact CG-CE2 4.41Å; K51-F58 HydrophobicContact CG-CE1 3.9Å; K51-F58 HydrophobicContact CG-CZ 3.86Å; L54-F58 HydrophobicContact CD1-CB 4.35Å; L54-F58 HydrophobicContact CD1-CD1 4.13Å; L54-F58 HydrophobicContact CD1-CG 4.29Å; F58-L60 HydrophobicContact CD2-CD2 3.93Å; F58-L60 HydrophobicContact CD2-CG 4.05Å; F58-L60 HydrophobicContact CE2-CD1 4.27Å; F58-L60 HydrophobicContact CE2-CD2 3.99Å; F58-L60 HydrophobicContact CE2-CG 3.88Å
59T96.6Very high94Very high43 Ų4341.2 Ų41.226%0.26422%0.224SC..EExtended strand (participates in β ladder)trans-119.8126.4170.652.40000108.7P26 L27 I29P26-T59 HydrophobicContact CB-CG2 3.83Å; P26-T59 HydrophobicContact CG-CG2 3.76Å; L27-T59 PolarHBondContact O-N 3.29Å; I29-T59 PolarHBondContact N-O 3.05Å
60L97.6Very high94Very high18 Ų1838.5 Ų38.59%0.09421%0.212CC..EExtended strand (participates in β ladder)trans-82.4130172.9-61.6179.9000108.8I29 V31 I46 E47 F50 F58 Y87 K88I29-L60 HydrophobicContact CB-CD2 4Å; I29-L60 HydrophobicContact CD1-CD2 4.19Å; I29-L60 HydrophobicContact CG2-CD2 4.33Å; V31-L60 HydrophobicContact CG2-CD2 4.12Å; I46-L60 HydrophobicContact CG2-CD1 4.11Å; E47-L60 HydrophobicContact CB-CD1 4.13Å; E47-L60 HydrophobicContact CG-CD1 4.32Å; F50-L60 HydrophobicContact CD2-CD2 3.79Å; F50-L60 HydrophobicContact CE2-CD2 3.85Å; F58-L60 HydrophobicContact CD2-CD2 3.93Å; F58-L60 HydrophobicContact CD2-CG 4.05Å; F58-L60 HydrophobicContact CE2-CD1 4.27Å; F58-L60 HydrophobicContact CE2-CD2 3.99Å; F58-L60 HydrophobicContact CE2-CG 3.88Å; L60-Y87 HydrophobicContact CB-CD1 3.68Å; L60-Y87 HydrophobicContact CB-CD2 4.18Å; L60-Y87 HydrophobicContact CB-CE1 4.07Å; L60-Y87 HydrophobicContact CB-CG 3.76Å; L60-Y87 HydrophobicContact CD1-CD1 3.94Å; L60-Y87 HydrophobicContact CD1-CE1 3.43Å; L60-Y87 VanDerWaalsContact CD1-CE1 3.43Å; L60-Y87 HydrophobicContact CD1-CE2 4.35Å; L60-Y87 HydrophobicContact CG-CD1 4.46Å; L60-Y87 HydrophobicContact CG-CE1 4.39Å; L60-K88 PolarHBondContact O-N 2.93Å; L60-K88 VanDerWaalsContact O-N 3.09Å
61V97.3Very high93.9Very high2 Ų243.2 Ų43.21%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-135.2141.2-169.2-1790000108.8E28 I29 L30 V31 K88 L90E28-V61 HydrophobicContact CB-CG2 4.46Å; I29-V61 PolarHBondContact O-N 3.36Å; L30-V61 CarbonylContact C-O 3.55Å; L30-V61 WeakPolarHBondContact CA-O 3.47Å; L30-V61 HydrophobicContact CD1-CG1 4.48Å; V31-V61 PolarHBondContact N-O 2.86Å; V61-K88 CarbonylContact C-O 3.56Å; V61-K88 VanDerWaalsContact CA-O 3.3Å; V61-K88 WeakPolarHBondContact CA-O 3.5Å; V61-K88 WeakPolarHBondContact CG1-O 3.41Å; V61-K88 HydrophobicContact CG2-CB 4.31Å; V61-L90 HydrophobicContact CG1-CD1 3.4Å; V61-L90 HydrophobicContact CG1-CD2 3.65Å; V61-L90 HydrophobicContact CG1-CG 3.21Å
62T96.2Very high93.8Very high0 Ų044.4 Ų44.40%024%0.239CC..EExtended strand (participates in β ladder)trans-129.1177.2171.9-165.70000110.5V31 I67 L84 K88 V89 L90V31-T62 PolarHBondContact O-OG1 3.1Å; T62-I67 HydrophobicContact CG2-CD1 4.01Å; T62-I67 HydrophobicContact CG2-CG1 4.23Å; T62-L84 WeakPolarHBondContact CG2-O 3.32Å; T62-K88 PolarHBondContact N-O 3.29Å; T62-V89 HydrophobicContact CG2-CB 4.37Å; T62-V89 HydrophobicContact CG2-CG1 4.43Å; T62-V89 HydrophobicContact CG2-CG2 3.91Å; T62-L90 WeakPolarHBondContact O-CB 3.46Å; T62-L90 PolarHBondContact O-N 3.07Å
63S94Very high93.7Very high0 Ų043.5 Ų43.50%023%0.227CC..EExtended strand (participates in β ladder)trans-115.1143.6-179.4174.70000110C65 I66 I67 C92 C105S63-C65 PolarHBondContact O-N 3.14Å; S63-C65 VanDerWaalsContact O-N 3.15Å; S63-C65 PolarHBondContact OG-N 3.33Å; S63-I66 WeakPolarHBondContact O-CB 3.44Å; S63-I66 PolarHBondContact O-N 2.94Å; S63-I67 PolarHBondContact O-N 3.04Å; S63-C92 PolarHBondContact OG-SG 3.39Å; S63-C105 PolarHBondContact OG-SG 2.84Å; S63-C105 VanDerWaalsContact OG-SG 3.37Å
64S93.4Very high93.6Very high34 Ų3444.3 Ų44.324%0.23824%0.237CC..Hα-helixtrans-55.6-32.2172.961.60000112.5I67 L68 L90 C92S64-I67 PolarHBondContact O-N 2.74Å; S64-L68 VanDerWaalsContact O-CG 3.31Å; S64-L68 WeakPolarHBondContact O-CG 3.46Å; S64-L68 PolarHBondContact O-N 2.91Å; S64-L90 PolarHBondContact N-O 3.21Å; S64-C92 PolarHBondContact OG-N 3.43Å
65C93.1Very high93.6Very high13 Ų1349 Ų499%0.08827%0.269CS..Hα-helixtrans-67.8-33.7175.8-62.80000113S63 E69 C105S63-C65 PolarHBondContact O-N 3.14Å; S63-C65 VanDerWaalsContact O-N 3.15Å; S63-C65 PolarHBondContact OG-N 3.33Å; C65-E69 WeakPolarHBondContact O-CB 3.4Å; C65-E69 PolarHBondContact O-N 3Å; C65-C105 HydrophobicContact CB-CB 3.85Å
66I94.4Very high93.7Very high0 Ų050.8 Ų50.80%027%0.272CS..Hα-helixtrans-68.7-42.3176.9-62.2162.5000109.3S63 E69 C70 L84 A102 I106S63-I66 WeakPolarHBondContact O-CB 3.44Å; S63-I66 PolarHBondContact O-N 2.94Å; I66-E69 PolarHBondContact O-N 3.12Å; I66-C70 PolarHBondContact O-N 3.38Å; I66-C70 PolarHBondContact O-SG 3.37Å; I66-C70 VanDerWaalsContact O-SG 3.34Å; I66-L84 HydrophobicContact CG2-CD1 3.84Å; I66-A102 HydrophobicContact CB-CB 4.31Å; I66-A102 HydrophobicContact CG1-CB 3.79Å; I66-I106 HydrophobicContact CD1-CD1 3.86Å; I66-I106 HydrophobicContact CD1-CG1 4.22Å; I66-I106 HydrophobicContact CG1-CD1 4.13Å
67I94.4Very high93.9Very high20 Ų2051.1 Ų51.110%0.10327%0.269CS..Hα-helixtrans-60.4-50.5176.9-62.2176.4000110.4T62 S63 S64 E69 C70 E71 V89T62-I67 HydrophobicContact CG2-CD1 4.01Å; T62-I67 HydrophobicContact CG2-CG1 4.23Å; S63-I67 PolarHBondContact O-N 3.04Å; S64-I67 PolarHBondContact O-N 2.74Å; I67-E69 VanDerWaalsContact C-N 3.27Å; I67-E69 PolarHBondContact O-N 2.84Å; I67-C70 WeakPolarHBondContact O-CB 3.47Å; I67-C70 PolarHBondContact O-N 3.05Å; I67-C70 VanDerWaalsContact O-N 3.16Å; I67-E71 WeakPolarHBondContact O-CG 3.26Å; I67-E71 PolarHBondContact O-N 3.32Å; I67-V89 HydrophobicContact CD1-CB 4.2Å; I67-V89 HydrophobicContact CD1-CG1 3.56Å; I67-V89 HydrophobicContact CD1-CG2 3.53Å
68L92.7Very high93.9Very high86 Ų8647.3 Ų47.345%0.4526%0.258SS..Hα-helixtrans-59.9-35.2177.5-69.8171.5000112.8S64 K72S64-L68 VanDerWaalsContact O-CG 3.31Å; S64-L68 WeakPolarHBondContact O-CG 3.46Å; S64-L68 PolarHBondContact O-N 2.91Å; L68-K72 VanDerWaalsContact O-CG 3.31Å; L68-K72 WeakPolarHBondContact O-CG 3.49Å; L68-K72 PolarHBondContact O-N 3.41Å; L68-K72 VanDerWaalsContact O-N 3.16Å
69E92.5Very high93.9Very high52 Ų5247.2 Ų47.224%0.24327%0.265CS..Hα-helixtrans-69.2-44.5175.5-171.9177.3-97.800111.4C65 I66 I67 E71 K72 L73 A102C65-E69 WeakPolarHBondContact O-CB 3.4Å; C65-E69 PolarHBondContact O-N 3Å; I66-E69 PolarHBondContact O-N 3.12Å; I67-E69 VanDerWaalsContact C-N 3.27Å; I67-E69 PolarHBondContact O-N 2.84Å; E69-E71 VanDerWaalsContact C-N 3.3Å; E69-E71 PolarHBondContact O-N 3.25Å; E69-K72 PolarHBondContact O-N 3.06Å; E69-L73 HydrophobicContact CG-CD1 4.41Å; E69-L73 WeakPolarHBondContact O-CG 3.43Å; E69-L73 PolarHBondContact O-N 3.17Å; E69-A102 HydrophobicContact CB-CB 4.05Å; E69-A102 HydrophobicContact CG-CB 4.38Å; E69-A102 WeakPolarHBondContact OE1-CB 3.36Å; E69-A102 PolarHBondContact OE1-N 3.22Å; E69-A102 WeakPolarHBondContact OE2-CB 3.45Å
70C93.9Very high93.8Very high1 Ų145.2 Ų45.21%0.00725%0.252CS..Hα-helixtrans-60.7-38.1174.3-71.10000112.5S33 I66 I67 L73 G74 F77 L81S33-C70 WeakPolarHBondContact CB-SG 3.49Å; I66-C70 PolarHBondContact O-N 3.38Å; I66-C70 PolarHBondContact O-SG 3.37Å; I66-C70 VanDerWaalsContact O-SG 3.34Å; I67-C70 WeakPolarHBondContact O-CB 3.47Å; I67-C70 PolarHBondContact O-N 3.05Å; I67-C70 VanDerWaalsContact O-N 3.16Å; C70-L73 PolarHBondContact O-N 2.84Å; C70-G74 PolarHBondContact O-N 2.9Å; C70-F77 HydrophobicContact CB-CB 4.32Å; C70-L81 HydrophobicContact CB-CB 4.04Å; C70-L81 HydrophobicContact CB-CD1 4.08Å
71E93.4Very high93.8Very high99 Ų9945.5 Ų45.546%0.46325%0.254SS..Hα-helixtrans-61.5-44.4174.1-72.4172.417900111.3I67 E69 L73 G74 L81I67-E71 WeakPolarHBondContact O-CG 3.26Å; I67-E71 PolarHBondContact O-N 3.32Å; E69-E71 VanDerWaalsContact C-N 3.3Å; E69-E71 PolarHBondContact O-N 3.25Å; E71-L73 VanDerWaalsContact C-N 3.34Å; E71-L73 PolarHBondContact O-N 2.82Å; E71-G74 PolarHBondContact O-N 2.88Å; E71-G74 VanDerWaalsContact O-N 3.13Å; E71-L81 HydrophobicContact CB-CD1 4.28Å; E71-L81 HydrophobicContact CG-CD1 3.35Å
72K92.1Very high93.7Very high151 Ų15151.6 Ų51.666%0.65728%0.282SS*.Hα-helixtrans-65.9-33.3178.2-73.4175-177.5-175.80113.4L68 E69 G74L68-K72 VanDerWaalsContact O-CG 3.31Å; L68-K72 WeakPolarHBondContact O-CG 3.49Å; L68-K72 PolarHBondContact O-N 3.41Å; L68-K72 VanDerWaalsContact O-N 3.16Å; E69-K72 PolarHBondContact O-N 3.06Å; K72-G74 PolarHBondContact O-N 2.86Å
73L91.5Very high93.7Very high78 Ų7853.3 Ų53.341%0.40829%0.291SS..THydrogen-bonded Turntrans-71.5-11.1176-67.6169.7000112.7E69 C70 E71 F77E69-L73 HydrophobicContact CG-CD1 4.41Å; E69-L73 WeakPolarHBondContact O-CG 3.43Å; E69-L73 PolarHBondContact O-N 3.17Å; C70-L73 PolarHBondContact O-N 2.84Å; E71-L73 VanDerWaalsContact C-N 3.34Å; E71-L73 PolarHBondContact O-N 2.82Å; L73-F77 HydrophobicContact CB-CB 4.09Å; L73-F77 HydrophobicContact CB-CD2 3.68Å; L73-F77 HydrophobicContact CB-CE2 4.43Å; L73-F77 HydrophobicContact CB-CG 4.08Å; L73-F77 HydrophobicContact CD1-CD1 4.19Å; L73-F77 HydrophobicContact CD1-CD2 3.61Å; L73-F77 HydrophobicContact CD1-CE1 4.28Å; L73-F77 HydrophobicContact CD1-CE2 3.72Å; L73-F77 HydrophobicContact CD1-CG 3.86Å; L73-F77 HydrophobicContact CD1-CZ 4.05Å; L73-F77 HydrophobicContact CG-CD2 4.21Å
74G90.7Very high93.8Very high27 Ų2753.3 Ų53.328%0.27829%0.291SS..G310 helixtrans67.5-139.7169.600000113.8C70 E71 K72 L76 F77 S78C70-G74 PolarHBondContact O-N 2.9Å; E71-G74 PolarHBondContact O-N 2.88Å; E71-G74 VanDerWaalsContact O-N 3.13Å; K72-G74 PolarHBondContact O-N 2.86Å; G74-L76 PolarHBondContact O-N 3.48Å; G74-L76 VanDerWaalsContact O-N 3.12Å; G74-F77 PolarHBondContact O-N 3.36Å; G74-F77 VanDerWaalsContact O-N 3.16Å; G74-S78 PolarHBondContact O-N 3.09Å
75P92.7Very high94Very high113 Ų11356.6 Ų56.673%0.73430%0.302SS*.G310 helixtrans-62.9-27.2-167.524.9-34000113.4F77 S78P75-F77 VanDerWaalsContact C-N 3.26Å; P75-F77 PolarHBondContact O-N 3.44Å; P75-S78 PolarHBondContact O-N 3.41Å; P75-S78 PolarHBondContact O-OG 3.26Å
76L90.2Very high94.1Very high119 Ų11963.3 Ų63.362%0.62333%0.333SS*.G310 helixtrans-61.6-32.6179.6-64.7178.7000113R37 G74R37-L76 PolarHBondContact NH1-O 3.26Å; G74-L76 PolarHBondContact O-N 3.48Å; G74-L76 VanDerWaalsContact O-N 3.12Å
77F94.1Very high94.2Very high39 Ų3964.6 Ų64.617%0.17134%0.338CS..G310 helixtrans-111.94.5-177.2-80.7-101.5000113.6R37 C70 L73 G74 P75 A79 A80 L81R37-F77 HydrophobicContact CB-CD1 4.46Å; R37-F77 HydrophobicContact CB-CE1 3.85Å; R37-F77 HydrophobicContact CB-CZ 4.42Å; R37-F77 HydrophobicContact CG-CE1 4.19Å; R37-F77 HydrophobicContact CG-CZ 4.31Å; C70-F77 HydrophobicContact CB-CB 4.32Å; L73-F77 HydrophobicContact CB-CB 4.09Å; L73-F77 HydrophobicContact CB-CD2 3.68Å; L73-F77 HydrophobicContact CB-CE2 4.43Å; L73-F77 HydrophobicContact CB-CG 4.08Å; L73-F77 HydrophobicContact CD1-CD1 4.19Å; L73-F77 HydrophobicContact CD1-CD2 3.61Å; L73-F77 HydrophobicContact CD1-CE1 4.28Å; L73-F77 HydrophobicContact CD1-CE2 3.72Å; L73-F77 HydrophobicContact CD1-CG 3.86Å; L73-F77 HydrophobicContact CD1-CZ 4.05Å; L73-F77 HydrophobicContact CG-CD2 4.21Å; G74-F77 PolarHBondContact O-N 3.36Å; G74-F77 VanDerWaalsContact O-N 3.16Å; P75-F77 VanDerWaalsContact C-N 3.26Å; P75-F77 PolarHBondContact O-N 3.44Å; F77-A79 PolarHBondContact O-N 3.44Å; F77-A80 HydrophobicContact CD1-CB 4.19Å; F77-A80 PolarHBondContact O-N 2.93Å; F77-L81 WeakPolarHBondContact O-CB 3.42Å; F77-L81 PolarHBondContact O-N 3.32Å
78S94.8Very high94.3Very high60 Ų6069.6 Ų69.642%0.4236%0.359SS..Hα-helixtrans-50.7-49.4178.758.70000113.7G74 P75 A80 L81 Q82G74-S78 PolarHBondContact O-N 3.09Å; P75-S78 PolarHBondContact O-N 3.41Å; P75-S78 PolarHBondContact O-OG 3.26Å; S78-A80 PolarHBondContact O-N 3.02Å; S78-L81 WeakPolarHBondContact O-CB 3.42Å; S78-L81 PolarHBondContact O-N 3.14Å; S78-Q82 PolarHBondContact O-N 2.9Å; S78-Q82 VanDerWaalsContact O-N 3.12Å
79A95.4Very high94.5Very high37 Ų3768.4 Ų68.431%0.30636%0.355SS..Hα-helixtrans-66.7-35.9177.900000112.8L40 F77 L81 I83L40-A79 HydrophobicContact CD1-CB 3.67Å; F77-A79 PolarHBondContact O-N 3.44Å; A79-L81 VanDerWaalsContact C-N 3.35Å; A79-I83 PolarHBondContact O-N 3.43Å
80A95.9Very high94.5Very high0 Ų067.6 Ų67.60%035%0.352CS..Hα-helixtrans-69.5-37.5177.100000110.9A36 L40 F77 S78 I83 L84A36-A80 HydrophobicContact CB-CB 4.09Å; L40-A80 HydrophobicContact CD1-CB 4.02Å; F77-A80 HydrophobicContact CD1-CB 4.19Å; F77-A80 PolarHBondContact O-N 2.93Å; S78-A80 PolarHBondContact O-N 3.02Å; A80-I83 PolarHBondContact O-N 3.28Å; A80-L84 VanDerWaalsContact O-CG 3.3Å; A80-L84 WeakPolarHBondContact O-CG 3.36Å; A80-L84 PolarHBondContact O-N 3.41Å
81L96.5Very high94.3Very high25 Ų2576.8 Ų76.813%0.13139%0.392CS..Hα-helixtrans-60.7-45175.1173.7150.2000111.8C70 E71 F77 S78 A79 I83 L84 Q85C70-L81 HydrophobicContact CB-CB 4.04Å; C70-L81 HydrophobicContact CB-CD1 4.08Å; E71-L81 HydrophobicContact CB-CD1 4.28Å; E71-L81 HydrophobicContact CG-CD1 3.35Å; F77-L81 WeakPolarHBondContact O-CB 3.42Å; F77-L81 PolarHBondContact O-N 3.32Å; S78-L81 WeakPolarHBondContact O-CB 3.42Å; S78-L81 PolarHBondContact O-N 3.14Å; A79-L81 VanDerWaalsContact C-N 3.35Å; L81-I83 VanDerWaalsContact C-N 3.29Å; L81-I83 PolarHBondContact O-N 3.24Å; L81-L84 PolarHBondContact O-N 3.33Å; L81-L84 VanDerWaalsContact O-N 3.15Å; L81-Q85 VanDerWaalsContact CD2-CD 3.43Å; L81-Q85 HydrophobicContact CD2-CG 4.24Å; L81-Q85 VanDerWaalsContact CD2-NE2 3.33Å; L81-Q85 HydrophobicContact CG-CG 4.46Å; L81-Q85 WeakPolarHBondContact O-CG 3.36Å; L81-Q85 PolarHBondContact O-N 3.23Å
82Q96.1Very high94Very high129 Ų12973 Ų7360%0.60338%0.376SS*.Hα-helixtrans-58.4-41176.7-72.8177.7-21.800112.1S78S78-Q82 PolarHBondContact O-N 2.9Å; S78-Q82 VanDerWaalsContact O-N 3.12Å
83I96.1Very high93.4Very high37 Ų3771.7 Ų71.719%0.1938%0.381CS..Hα-helixtrans-65.7-45.6175.6-66.4170.7000110.8L40 I46 A79 A80 L81 Q85 Q86 Y87L40-I83 HydrophobicContact CD1-CD1 4.07Å; L40-I83 HydrophobicContact CD2-CD1 3.5Å; L40-I83 VanDerWaalsContact CD2-CD1 3.5Å; L40-I83 HydrophobicContact CG-CD1 3.71Å; I46-I83 HydrophobicContact CD1-CG2 4.26Å; A79-I83 PolarHBondContact O-N 3.43Å; A80-I83 PolarHBondContact O-N 3.28Å; L81-I83 VanDerWaalsContact C-N 3.29Å; L81-I83 PolarHBondContact O-N 3.24Å; I83-Q85 VanDerWaalsContact C-N 3.31Å; I83-Q85 PolarHBondContact O-N 3.32Å; I83-Q86 WeakPolarHBondContact O-CB 3.39Å; I83-Q86 PolarHBondContact O-N 3.36Å; I83-Y87 HydrophobicContact CG2-CE2 3.89Å; I83-Y87 VanDerWaalsContact CG2-OH 3.26Å; I83-Y87 WeakPolarHBondContact CG2-OH 3.45Å
84L96.6Very high92.7Very high0 Ų069.4 Ų69.40%037%0.368CS..Hα-helixtrans-66.3-33.1-177.8-70.8171.3000112.7V31 A36 T62 I66 A80 L81 Q86 Y87V31-L84 HydrophobicContact CB-CD2 4.19Å; V31-L84 HydrophobicContact CG1-CD2 3.84Å; A36-L84 HydrophobicContact CB-CD1 4.25Å; A36-L84 HydrophobicContact CB-CD2 4.03Å; A36-L84 HydrophobicContact CB-CG 3.99Å; T62-L84 WeakPolarHBondContact CG2-O 3.32Å; I66-L84 HydrophobicContact CG2-CD1 3.84Å; A80-L84 VanDerWaalsContact O-CG 3.3Å; A80-L84 WeakPolarHBondContact O-CG 3.36Å; A80-L84 PolarHBondContact O-N 3.41Å; L81-L84 PolarHBondContact O-N 3.33Å; L81-L84 VanDerWaalsContact O-N 3.15Å; L84-Q86 PolarHBondContact O-N 3.04Å; L84-Y87 HydrophobicContact CD2-CD2 4.15Å; L84-Y87 HydrophobicContact CD2-CE2 4.31Å; L84-Y87 PolarHBondContact O-N 3Å; L84-Y87 VanDerWaalsContact O-N 3.15Å
85Q95.9Very high91.1Very high102 Ų10276.8 Ų76.848%0.47739%0.392SS..Hα-helixtrans-65.8-23.4177-76.8177.3-21.300113.4L81 I83 Y87L81-Q85 VanDerWaalsContact CD2-CD 3.43Å; L81-Q85 HydrophobicContact CD2-CG 4.24Å; L81-Q85 VanDerWaalsContact CD2-NE2 3.33Å; L81-Q85 HydrophobicContact CG-CG 4.46Å; L81-Q85 WeakPolarHBondContact O-CG 3.36Å; L81-Q85 PolarHBondContact O-N 3.23Å; I83-Q85 VanDerWaalsContact C-N 3.31Å; I83-Q85 PolarHBondContact O-N 3.32Å; Q85-Y87 VanDerWaalsContact C-N 3.25Å; Q85-Y87 PolarHBondContact O-N 3.05Å
86Q95.9Very high89.3Confident155 Ų15577.4 Ų77.472%0.72439%0.394SS*.THydrogen-bonded Turntrans-73.6-19.1175.1-65.2173.5-19.200112.6I83 L84I83-Q86 WeakPolarHBondContact O-CB 3.39Å; I83-Q86 PolarHBondContact O-N 3.36Å; L84-Q86 PolarHBondContact O-N 3.04Å
87Y96.6Very high87.9Confident26 Ų2677.2 Ų77.210%0.10239%0.39CS..SBendtrans-87.4163.7-179-56.6-27.1000111.8V31 L60 I83 L84 Q85 V89V31-Y87 HydrophobicContact CB-CD2 4.36Å; V31-Y87 HydrophobicContact CB-CE2 4.37Å; V31-Y87 HydrophobicContact CG1-CE2 4.28Å; V31-Y87 HydrophobicContact CG2-CD2 4.35Å; V31-Y87 HydrophobicContact CG2-CE2 4.26Å; L60-Y87 HydrophobicContact CB-CD1 3.68Å; L60-Y87 HydrophobicContact CB-CD2 4.18Å; L60-Y87 HydrophobicContact CB-CE1 4.07Å; L60-Y87 HydrophobicContact CB-CG 3.76Å; L60-Y87 HydrophobicContact CD1-CD1 3.94Å; L60-Y87 HydrophobicContact CD1-CE1 3.43Å; L60-Y87 VanDerWaalsContact CD1-CE1 3.43Å; L60-Y87 HydrophobicContact CD1-CE2 4.35Å; L60-Y87 HydrophobicContact CG-CD1 4.46Å; L60-Y87 HydrophobicContact CG-CE1 4.39Å; I83-Y87 HydrophobicContact CG2-CE2 3.89Å; I83-Y87 VanDerWaalsContact CG2-OH 3.26Å; I83-Y87 WeakPolarHBondContact CG2-OH 3.45Å; L84-Y87 HydrophobicContact CD2-CD2 4.15Å; L84-Y87 HydrophobicContact CD2-CE2 4.31Å; L84-Y87 PolarHBondContact O-N 3Å; L84-Y87 VanDerWaalsContact O-N 3.15Å; Q85-Y87 VanDerWaalsContact C-N 3.25Å; Q85-Y87 PolarHBondContact O-N 3.05Å; Y87-V89 PolarHBondContact O-N 3.45Å; Y87-V89 VanDerWaalsContact O-N 3.1Å
88K97Very high86.2Confident126 Ų12684.1 Ų84.155%0.54842%0.42SS..EExtended strand (participates in β ladder)trans-65.3115.6178-178-179.1178.8-175.80109.8L60 V61 T62L60-K88 PolarHBondContact O-N 2.93Å; L60-K88 VanDerWaalsContact O-N 3.09Å; V61-K88 CarbonylContact C-O 3.56Å; V61-K88 VanDerWaalsContact CA-O 3.3Å; V61-K88 WeakPolarHBondContact CA-O 3.5Å; V61-K88 WeakPolarHBondContact CG1-O 3.41Å; V61-K88 HydrophobicContact CG2-CB 4.31Å; T62-K88 PolarHBondContact N-O 3.29Å
89V95.8Very high84.6Confident60 Ų6088.2 Ų88.236%0.36444%0.437SS..EExtended strand (participates in β ladder)trans-85.8117.5-179.4-172.90000110.6T62 I67 Y87T62-V89 HydrophobicContact CG2-CB 4.37Å; T62-V89 HydrophobicContact CG2-CG1 4.43Å; T62-V89 HydrophobicContact CG2-CG2 3.91Å; I67-V89 HydrophobicContact CD1-CB 4.2Å; I67-V89 HydrophobicContact CD1-CG1 3.56Å; I67-V89 HydrophobicContact CD1-CG2 3.53Å; Y87-V89 PolarHBondContact O-N 3.45Å; Y87-V89 VanDerWaalsContact O-N 3.1Å
90L93.4Very high83.7Confident35 Ų3587.7 Ų87.718%0.18343%0.43CS..EExtended strand (participates in β ladder)trans-80.2124171-56.4-177.9000110.3V61 T62 S64 C92 R109V61-L90 HydrophobicContact CG1-CD1 3.4Å; V61-L90 HydrophobicContact CG1-CD2 3.65Å; V61-L90 HydrophobicContact CG1-CG 3.21Å; T62-L90 WeakPolarHBondContact O-CB 3.46Å; T62-L90 PolarHBondContact O-N 3.07Å; S64-L90 PolarHBondContact N-O 3.21Å; L90-C92 PolarHBondContact O-N 2.82Å; L90-R109 VanDerWaalsContact CB-NH2 3.27Å
91K89.9Confident83.4Confident194 Ų19490.2 Ų90.284%0.84345%0.447SS*.PPolyproline II helixtrans-69.9125.3171.7-61.9-178.7-178.9179.10109.3
92C86.2Confident83.2Confident19 Ų1989 Ų8913%0.12844%0.441CS..PPolyproline II helixtrans-93.5142.6173.6-73.10000111.5S63 S64 L90 H94 C105 R109S63-C92 PolarHBondContact OG-SG 3.39Å; S64-C92 PolarHBondContact OG-N 3.43Å; L90-C92 PolarHBondContact O-N 2.82Å; C92-H94 PolarHBondContact O-N 2.99Å; C92-C105 PolarHBondContact SG-SG 3.06Å; C92-R109 PolarHBondContact SG-NH2 2.89Å
93T80.9Confident83.1Confident125 Ų12585.8 Ų85.877%0.76743%0.425SS*.SBendtrans-82.25.3176.951.30000113.2K95T93-K95 PolarHBondContact O-N 2.73Å
94H75.7Confident82.9Confident30 Ų3085.9 Ų85.914%0.13943%0.429CS..G310 helixtrans-74.823-175.8-51.7143.2000114.6C92 V96 H97 T100 R108C92-H94 PolarHBondContact O-N 2.99Å; H94-V96 PolarHBondContact O-N 3.26Å; H94-H97 CarbonylContact O-C 3.35Å; H94-H97 PolarHBondContact O-N 3.04Å; H94-T100 HydrophobicContact CB-CG2 4.43Å; H94-R108 PolarHBondContact CD2-NH1 3.38Å; H94-R108 PolarHBondContact NE2-NH1 3.45Å
95K56.7Low82.7Confident181 Ų18185.9 Ų85.979%0.78743%0.429SS*.G310 helixtrans-54.7-29179.1-71.1-173177.2-175.80113.1T93 H97T93-K95 PolarHBondContact O-N 2.73Å; K95-H97 VanDerWaalsContact C-N 3.25Å; K95-H97 PolarHBondContact O-N 3.09Å
96V55.7Low82.6Confident126 Ų12681 Ų8176%0.76441%0.406SS*.G310 helixtrans-64.5-29177.7-174.50000112.2H94H94-V96 PolarHBondContact O-N 3.26Å
97H59.7Low82.6Confident116 Ų11676.6 Ų76.654%0.53739%0.385SS..  trans-122.679.4178.1-58.8-65.6000109.2H94 K95 N99 T100H94-H97 CarbonylContact O-C 3.35Å; H94-H97 PolarHBondContact O-N 3.04Å; K95-H97 VanDerWaalsContact C-N 3.25Å; K95-H97 PolarHBondContact O-N 3.09Å; H97-N99 PolarHBondContact O-N 3.09Å; H97-T100 VanDerWaalsContact CB-OG1 3.29Å; H97-T100 WeakPolarHBondContact CB-OG1 3.4Å; H97-T100 WeakPolarHBondContact O-CB 3.48Å; H97-T100 PolarHBondContact O-N 3.06Å; H97-T100 PolarHBondContact O-OG1 3.37Å
98K60.1Low82.3Confident184 Ų18481 Ų8180%0.840%0.401SS*.THydrogen-bonded Turntrans-53.1-19.1178.3-70.2-176.8-179.5178.30113.8
99N61.4Low82.1Confident146 Ų14678 Ų7878%0.78139%0.386SS*.THydrogen-bonded Turntrans-97.917.7177.5-68.9-8.6000114.5H97 S101H97-N99 PolarHBondContact O-N 3.09Å; N99-S101 PolarHBondContact O-N 3.44Å; N99-S101 VanDerWaalsContact O-N 3.14Å
100T76.4Confident82Confident26 Ų2675.1 Ų75.116%0.1637%0.369CS..  trans-66113.1173.2-550000109.5H94 H97 S104 C105H94-T100 HydrophobicContact CB-CG2 4.43Å; H97-T100 VanDerWaalsContact CB-OG1 3.29Å; H97-T100 WeakPolarHBondContact CB-OG1 3.4Å; H97-T100 WeakPolarHBondContact O-CB 3.48Å; H97-T100 PolarHBondContact O-N 3.06Å; H97-T100 PolarHBondContact O-OG1 3.37Å; T100-S104 WeakPolarHBondContact CG2-OG 3.29Å; T100-C105 HydrophobicContact CG2-CB 4.33Å
101S88Confident81.9Confident52 Ų5276.9 Ų76.936%0.36438%0.378SS..  trans-60.2154.2173.862.50000111.4N99 F103 S104 C105N99-S101 PolarHBondContact O-N 3.44Å; N99-S101 VanDerWaalsContact O-N 3.14Å; S101-F103 PolarHBondContact O-N 3.16Å; S101-S104 PolarHBondContact N-OG 3.39Å; S101-S104 PolarHBondContact O-N 3.08Å; S101-S104 VanDerWaalsContact O-N 3.17Å; S101-S104 PolarHBondContact O-OG 3Å; S101-S104 WeakPolarHBondContact OG-CB 3.48Å; S101-S104 PolarHBondContact OG-N 2.9Å; S101-S104 PolarHBondContact OG-OG 2.85Å; S101-S104 VanDerWaalsContact OG-OG 3.08Å; S101-C105 PolarHBondContact O-N 3.39Å; S101-C105 VanDerWaalsContact O-N 3.12Å
102A92.6Very high81.9Confident0 Ų070.4 Ų70.40%036%0.355CS..Hα-helixtrans-61.2-39178.200000111I66 E69 S104 C105 I106I66-A102 HydrophobicContact CB-CB 4.31Å; I66-A102 HydrophobicContact CG1-CB 3.79Å; E69-A102 HydrophobicContact CB-CB 4.05Å; E69-A102 HydrophobicContact CG-CB 4.38Å; E69-A102 WeakPolarHBondContact OE1-CB 3.36Å; E69-A102 PolarHBondContact OE1-N 3.22Å; E69-A102 WeakPolarHBondContact OE2-CB 3.45Å; A102-S104 PolarHBondContact O-N 3.29Å; A102-C105 WeakPolarHBondContact O-CB 3.48Å; A102-C105 PolarHBondContact O-N 3.26Å; A102-C105 VanDerWaalsContact O-N 3.16Å; A102-I106 WeakPolarHBondContact O-CG1 3.41Å; A102-I106 PolarHBondContact O-N 3.16Å
103F93.7Very high82Confident61 Ų6169.9 Ų69.927%0.26835%0.352SS..Hα-helixtrans-49.9-53.3171.9177.1-95.4000112.6S101 C105 I106 K107 S138 L139 Y142S101-F103 PolarHBondContact O-N 3.16Å; F103-C105 VanDerWaalsContact C-N 3.31Å; F103-C105 PolarHBondContact O-N 2.77Å; F103-I106 PolarHBondContact O-N 3.32Å; F103-K107 HydrophobicContact CE1-CD 4.06Å; F103-K107 HydrophobicContact CZ-CD 4.41Å; F103-K107 VanDerWaalsContact O-CB 3.28Å; F103-K107 WeakPolarHBondContact O-CB 3.27Å; F103-K107 PolarHBondContact O-N 2.89Å; F103-S138 WeakPolarHBondContact CE2-OG 3.37Å; F103-L139 HydrophobicContact CD2-CD1 4.24Å; F103-L139 HydrophobicContact CD2-CD2 3.41Å; F103-L139 VanDerWaalsContact CD2-CD2 3.41Å; F103-L139 HydrophobicContact CD2-CG 3.56Å; F103-L139 HydrophobicContact CE2-CD2 3.49Å; F103-L139 VanDerWaalsContact CE2-CD2 3.49Å; F103-L139 HydrophobicContact CE2-CG 3.69Å; F103-L139 HydrophobicContact CG-CD2 4.26Å; F103-L139 HydrophobicContact CZ-CD2 4.43Å; F103-Y142 HydrophobicContact CE2-CE2 4.47Å; F103-Y142 HydrophobicContact CZ-CD2 4.29Å; F103-Y142 AromaticContact CZ-CE2 3.76Å; F103-Y142 HydrophobicContact CZ-CE2 3.76Å
104S92.5Very high82.1Confident39 Ų3969.6 Ų69.627%0.27334%0.337SS..Hα-helixtrans-66.6-33.4-178.363.50000112.5T100 S101 A102 R108T100-S104 WeakPolarHBondContact CG2-OG 3.29Å; S101-S104 PolarHBondContact N-OG 3.39Å; S101-S104 PolarHBondContact O-N 3.08Å; S101-S104 VanDerWaalsContact O-N 3.17Å; S101-S104 PolarHBondContact O-OG 3Å; S101-S104 WeakPolarHBondContact OG-CB 3.48Å; S101-S104 PolarHBondContact OG-N 2.9Å; S101-S104 PolarHBondContact OG-OG 2.85Å; S101-S104 VanDerWaalsContact OG-OG 3.08Å; A102-S104 PolarHBondContact O-N 3.29Å; S104-R108 WeakPolarHBondContact O-CB 3.13Å; S104-R108 PolarHBondContact O-N 2.9Å
105C92.9Very high82.2Confident0 Ų073 Ų730%036%0.364CS..Hα-helixtrans-63.5-50.1172.4173.40000112S63 C65 C92 T100 S101 A102 F103 R108 R109S63-C105 PolarHBondContact OG-SG 2.84Å; S63-C105 VanDerWaalsContact OG-SG 3.37Å; C65-C105 HydrophobicContact CB-CB 3.85Å; C92-C105 PolarHBondContact SG-SG 3.06Å; T100-C105 HydrophobicContact CG2-CB 4.33Å; S101-C105 PolarHBondContact O-N 3.39Å; S101-C105 VanDerWaalsContact O-N 3.12Å; A102-C105 WeakPolarHBondContact O-CB 3.48Å; A102-C105 PolarHBondContact O-N 3.26Å; A102-C105 VanDerWaalsContact O-N 3.16Å; F103-C105 VanDerWaalsContact C-N 3.31Å; F103-C105 PolarHBondContact O-N 2.77Å; C105-R108 PolarHBondContact O-N 2.8Å; C105-R109 WeakPolarHBondContact O-CG 3.44Å; C105-R109 PolarHBondContact O-N 3.09Å; C105-R109 VanDerWaalsContact O-N 3.09Å
106I94.5Very high82.7Confident0 Ų071.8 Ų71.80%035%0.354CS..Hα-helixtrans-63.9-46.4179.5-62.1169.6000109.6L30 D32 I66 A102 F103 R108 R109 I110 L132 L139L30-I106 HydrophobicContact CD2-CG1 4.23Å; L30-I106 HydrophobicContact CD2-CG2 4.07Å; D32-I106 HydrophobicContact CB-CD1 4.17Å; D32-I106 WeakPolarHBondContact OD1-CD1 3.48Å; I66-I106 HydrophobicContact CD1-CD1 3.86Å; I66-I106 HydrophobicContact CD1-CG1 4.22Å; I66-I106 HydrophobicContact CG1-CD1 4.13Å; A102-I106 WeakPolarHBondContact O-CG1 3.41Å; A102-I106 PolarHBondContact O-N 3.16Å; F103-I106 PolarHBondContact O-N 3.32Å; I106-R108 VanDerWaalsContact C-N 3.32Å; I106-R108 PolarHBondContact O-N 3.02Å; I106-R109 WeakPolarHBondContact O-CB 3.38Å; I106-R109 PolarHBondContact O-N 3.3Å; I106-I110 HydrophobicContact CG2-CD1 3.77Å; I106-I110 HydrophobicContact CG2-CG1 4.26Å; I106-I110 WeakPolarHBondContact O-CG1 3.19Å; I106-I110 PolarHBondContact O-N 2.8Å; I106-L132 HydrophobicContact CG2-CD1 3.91Å; I106-L139 HydrophobicContact CB-CD1 4.43Å; I106-L139 HydrophobicContact CB-CD2 3.99Å; I106-L139 HydrophobicContact CD1-CD1 3.83Å; I106-L139 HydrophobicContact CG2-CD1 4.27Å; I106-L139 HydrophobicContact CG2-CD2 3.87Å
107K94.4Very high82.9Confident62 Ų6273 Ų7327%0.2735%0.349SS..Hα-helixtrans-52.8-47.9175.2177.8174.9172.1172.90111.6F103 R109 I110 L111 Y142F103-K107 HydrophobicContact CE1-CD 4.06Å; F103-K107 HydrophobicContact CZ-CD 4.41Å; F103-K107 VanDerWaalsContact O-CB 3.28Å; F103-K107 WeakPolarHBondContact O-CB 3.27Å; F103-K107 PolarHBondContact O-N 2.89Å; K107-R109 PolarHBondContact O-N 3.01Å; K107-I110 PolarHBondContact O-N 2.86Å; K107-L111 HydrophobicContact CG-CD1 3.97Å; K107-L111 HydrophobicContact CG-CG 4.43Å; K107-L111 WeakPolarHBondContact O-CB 3.12Å; K107-L111 VanDerWaalsContact O-CG 3.27Å; K107-L111 WeakPolarHBondContact O-CG 3.28Å; K107-L111 PolarHBondContact O-N 2.85Å; K107-Y142 HydrophobicContact CD-CD1 4.47Å; K107-Y142 HydrophobicContact CD-CD2 4.39Å; K107-Y142 HydrophobicContact CD-CE1 4.06Å; K107-Y142 HydrophobicContact CD-CE2 4.06Å; K107-Y142 VanDerWaalsContact CE-CE1 3.48Å; K107-Y142 HydrophobicContact CG-CD1 4.37Å; K107-Y142 HydrophobicContact CG-CD2 4.45Å; K107-Y142 HydrophobicContact CG-CE1 4.44Å; K107-Y142 HydrophobicContact CG-CG 4.38Å; K107-Y142 PolarHBondContact NZ-OH 2.93Å
108R91.9Very high82.5Confident118 Ų11870.1 Ų70.145%0.44534%0.341SS..Hα-helixtrans-62.9-39.6177.9-172.3177.1-70.9156.6-5.3112.3H94 S104 C105 I106 L111 T112H94-R108 PolarHBondContact CD2-NH1 3.38Å; H94-R108 PolarHBondContact NE2-NH1 3.45Å; S104-R108 WeakPolarHBondContact O-CB 3.13Å; S104-R108 PolarHBondContact O-N 2.9Å; C105-R108 PolarHBondContact O-N 2.8Å; I106-R108 VanDerWaalsContact C-N 3.32Å; I106-R108 PolarHBondContact O-N 3.02Å; R108-L111 PolarHBondContact O-N 3.04Å; R108-T112 WeakPolarHBondContact O-CB 3.45Å; R108-T112 PolarHBondContact O-N 3.16Å; R108-T112 PolarHBondContact O-OG1 3.28Å
109R92.2Very high81.9Confident63 Ų6363.6 Ų63.624%0.23832%0.319CS..Hα-helixtrans-62.1-46174.7-73174.8173.4-91.81.7111.7L90 C92 C105 I106 K107 T112 A113 F130L90-R109 VanDerWaalsContact CB-NH2 3.27Å; C92-R109 PolarHBondContact SG-NH2 2.89Å; C105-R109 WeakPolarHBondContact O-CG 3.44Å; C105-R109 PolarHBondContact O-N 3.09Å; C105-R109 VanDerWaalsContact O-N 3.09Å; I106-R109 WeakPolarHBondContact O-CB 3.38Å; I106-R109 PolarHBondContact O-N 3.3Å; K107-R109 PolarHBondContact O-N 3.01Å; R109-T112 PolarHBondContact O-N 2.7Å; R109-A113 PolarHBondContact O-N 3.26Å; R109-F130 HydrophobicContact CB-CE1 4.26Å; R109-F130 HydrophobicContact CB-CZ 4.1Å
110I93.5Very high81.5Confident0 Ų064.7 Ų64.70%032%0.319CS..Hα-helixtrans-59.6-47.5176.2-66.7169000110.6I106 K107 T112 A113 R114 F130 L132 Y142 A143 V146 M149I106-I110 HydrophobicContact CG2-CD1 3.77Å; I106-I110 HydrophobicContact CG2-CG1 4.26Å; I106-I110 WeakPolarHBondContact O-CG1 3.19Å; I106-I110 PolarHBondContact O-N 2.8Å; K107-I110 PolarHBondContact O-N 2.86Å; I110-T112 VanDerWaalsContact C-N 3.33Å; I110-T112 PolarHBondContact O-N 3.12Å; I110-A113 WeakPolarHBondContact O-CB 3.42Å; I110-A113 PolarHBondContact O-N 3.43Å; I110-R114 PolarHBondContact O-N 2.99Å; I110-F130 HydrophobicContact CG1-CZ 4.02Å; I110-L132 HydrophobicContact CD1-CD2 4.09Å; I110-Y142 WeakPolarHBondContact CG2-O 3.48Å; I110-A143 HydrophobicContact CD1-CB 4.29Å; I110-V146 HydrophobicContact CG2-CG2 3.49Å; I110-V146 VanDerWaalsContact CG2-CG2 3.49Å; I110-M149 HydrophobicContact CG2-CE 4.41Å
111L91.1Very high80.3Confident73 Ų7369.5 Ų69.538%0.38235%0.349SS..Hα-helixtrans-64.6-36.3178.7-68.1174.5000112.6K107 R108 A113 R114 S115K107-L111 HydrophobicContact CG-CD1 3.97Å; K107-L111 HydrophobicContact CG-CG 4.43Å; K107-L111 WeakPolarHBondContact O-CB 3.12Å; K107-L111 VanDerWaalsContact O-CG 3.27Å; K107-L111 WeakPolarHBondContact O-CG 3.28Å; K107-L111 PolarHBondContact O-N 2.85Å; R108-L111 PolarHBondContact O-N 3.04Å; L111-A113 VanDerWaalsContact C-N 3.35Å; L111-R114 WeakPolarHBondContact O-CB 3.35Å; L111-R114 PolarHBondContact O-N 3.22Å; L111-S115 PolarHBondContact O-N 2.72Å
112T89.3Confident78.6Confident58 Ų5874.6 Ų74.636%0.35637%0.365SS..Hα-helixtrans-65-41.1175-55.10000111R108 R109 I110 R114 S115 R116 L128R108-T112 WeakPolarHBondContact O-CB 3.45Å; R108-T112 PolarHBondContact O-N 3.16Å; R108-T112 PolarHBondContact O-OG1 3.28Å; R109-T112 PolarHBondContact O-N 2.7Å; I110-T112 VanDerWaalsContact C-N 3.33Å; I110-T112 PolarHBondContact O-N 3.12Å; T112-R114 VanDerWaalsContact C-N 3.29Å; T112-R114 PolarHBondContact O-N 3.32Å; T112-S115 PolarHBondContact O-N 3.12Å; T112-R116 PolarHBondContact O-N 3.38Å; T112-L128 HydrophobicContact CG2-CD1 3.93Å
113A88Confident76.6Confident7 Ų779.1 Ų79.16%0.05840%0.396CS..Hα-helixtrans-62.4-36.5174.600000112R109 I110 L111 L128 L129 F130 M149R109-A113 PolarHBondContact O-N 3.26Å; I110-A113 WeakPolarHBondContact O-CB 3.42Å; I110-A113 PolarHBondContact O-N 3.43Å; L111-A113 VanDerWaalsContact C-N 3.35Å; A113-L128 HydrophobicContact CB-CB 4.38Å; A113-L128 WeakPolarHBondContact CB-O 3.42Å; A113-L129 HydrophobicContact CB-CD2 4.36Å; A113-F130 HydrophobicContact CB-CE1 4.4Å; A113-M149 HydrophobicContact CB-CE 3.83Å
114R83.8Confident74.9Confident120 Ų12084.7 Ų84.745%0.45342%0.416SS..Hα-helixtrans-65-40.4173.9-169.1-179.8170.3174.6-2113.2I110 L111 T112 V146I110-R114 PolarHBondContact O-N 2.99Å; L111-R114 WeakPolarHBondContact O-CB 3.35Å; L111-R114 PolarHBondContact O-N 3.22Å; T112-R114 VanDerWaalsContact C-N 3.29Å; T112-R114 PolarHBondContact O-N 3.32Å; R114-V146 HydrophobicContact CB-CG1 4.21Å; R114-V146 HydrophobicContact CB-CG2 3.77Å; R114-V146 HydrophobicContact CG-CG2 4.19Å
115S77.9Confident73.2Confident101 Ų10192.1 Ų92.171%0.70644%0.443SS*.Hα-helixtrans-69.2-39.4-175.2173.90000112.1L111 T112 K117L111-S115 PolarHBondContact O-N 2.72Å; T112-S115 PolarHBondContact O-N 3.12Å; S115-K117 PolarHBondContact O-N 3.28Å
116R67.1Low72Confident155 Ų15594.1 Ų94.159%0.58546%0.464SS*.THydrogen-bonded Turntrans-79.636.7180-62.2-157.9-175.5171.8-1.8113.9T112 C118 L128T112-R116 PolarHBondContact O-N 3.38Å; R116-C118 PolarHBondContact O-N 2.89Å; R116-L128 VanDerWaalsContact CD-CD1 3.49Å; R116-L128 HydrophobicContact CG-CD1 4.2Å
117K59.6Low71.1Confident152 Ų15294.4 Ų94.466%0.66147%0.466SS*.  trans-42.2126.4175.5-93.8177.5178.7-176.90109.8S115 S119S115-K117 PolarHBondContact O-N 3.28Å; K117-S119 VanDerWaalsContact C-N 3.34Å; K117-S119 PolarHBondContact O-N 3.43Å
118C51.7Low70.7Confident55 Ų5594.5 Ų94.537%0.37247%0.469SS..  trans-52.1104.8160.4-83.10000106.7R116 E120R116-C118 PolarHBondContact O-N 2.89Å; C118-E120 PolarHBondContact O-N 3.43Å
119S47Very low70.7Confident48 Ų4889.7 Ų89.734%0.33645%0.452SS..  trans-58.4139.3154.175.40000105.5K117 T121 K122K117-S119 VanDerWaalsContact C-N 3.34Å; K117-S119 PolarHBondContact O-N 3.43Å; S119-T121 PolarHBondContact O-N 2.91Å; S119-T121 PolarHBondContact OG-OG1 3.32Å; S119-K122 PolarHBondContact O-N 3.3Å; S119-K122 WeakPolarHBondContact OG-CB 3.45Å; S119-K122 WeakPolarHBondContact OG-CG 3.31Å; S119-K122 PolarHBondContact OG-N 2.58Å
120E54.4Low70.8Confident168 Ų16887.7 Ų87.779%0.78545%0.445SS*.THydrogen-bonded Turntrans-53.5-19.8-176.2-71.6168.6165.400112.6C118C118-E120 PolarHBondContact O-N 3.43Å
121T51.1Low71Confident127 Ų12787.7 Ų87.778%0.77945%0.445SS*.THydrogen-bonded Turntrans-91.1-17.5179.550.60000115.6S119S119-T121 PolarHBondContact O-N 2.91Å; S119-T121 PolarHBondContact OG-OG1 3.32Å
122K50.6Low71.3Confident159 Ų15984.2 Ų84.269%0.69143%0.427SS*.SBendtrans-99.1103.4-175.4-77179.8-178.11800110.7S119S119-K122 PolarHBondContact O-N 3.3Å; S119-K122 WeakPolarHBondContact OG-CB 3.45Å; S119-K122 WeakPolarHBondContact OG-CG 3.31Å; S119-K122 PolarHBondContact OG-N 2.58Å
123S50.9Low71.7Confident95 Ų9581.4 Ų81.466%0.66441%0.41SS*.  trans-14.3133.7166.3-156.70000115.5K125S123-K125 PolarHBondContact O-N 2.98Å
124R57.9Low72.2Confident179 Ų17981.1 Ų81.168%0.67541%0.407SS*.G310 helixtrans-43.5-13.6-179.7-68.3-178.5175.3171.1-2.2116.7G126R124-G126 PolarHBondContact O-N 2.7Å; R124-G126 VanDerWaalsContact O-N 3.12Å
125K57.7Low72.8Confident194 Ų19477.6 Ų77.684%0.84340%0.397SS*.G310 helixtrans-65.5-9.7-173.6-105.3172.8174.4175.50115.8S123S123-K125 PolarHBondContact O-N 2.98Å
126G67.8Low73.7Confident43 Ų4375 Ų7544%0.44338%0.376SS..G310 helixtrans-112.8-4.5-169.900000117.9R124 L128R124-G126 PolarHBondContact O-N 2.7Å; R124-G126 VanDerWaalsContact O-N 3.12Å; G126-L128 PolarHBondContact O-N 3.29Å
127S76Confident75Confident5 Ų571.7 Ų71.74%0.03537%0.367CS..  trans-66.3132.5-173.863.70000111.6G21 K23G21-S127 WeakPolarHBondContact O-CB 3.48Å; G21-S127 PolarHBondContact O-OG 3.3Å; K23-S127 VanDerWaalsContact CE-O 3.32Å; K23-S127 WeakPolarHBondContact CE-O 3.3Å; K23-S127 PolarHBondContact NZ-O 3.35Å
128L86Confident76.8Confident65 Ų6566.3 Ų66.334%0.3435%0.348SS..  trans-103.518.9172.5-63.9-174.9000111.4T112 A113 R116 G126 F130T112-L128 HydrophobicContact CG2-CD1 3.93Å; A113-L128 HydrophobicContact CB-CB 4.38Å; A113-L128 WeakPolarHBondContact CB-O 3.42Å; R116-L128 VanDerWaalsContact CD-CD1 3.49Å; R116-L128 HydrophobicContact CG-CD1 4.2Å; G126-L128 PolarHBondContact O-N 3.29Å; L128-F130 WeakPolarHBondContact O-CD1 3.47Å
129L91.1Very high78.9Confident17 Ų1763.8 Ų63.89%0.08933%0.331CS..  trans-71.1139.6175.9-66.5174.2000109.3F20 L22 A113 V146 M149F20-L129 HydrophobicContact CB-CD1 3.82Å; F20-L129 WeakPolarHBondContact O-CD1 3.36Å; L22-L129 HydrophobicContact CD1-CB 3.8Å; A113-L129 HydrophobicContact CB-CD2 4.36Å; L129-V146 HydrophobicContact CD2-CG1 3.83Å; L129-M149 HydrophobicContact CD2-CE 4.27Å
130F94.7Very high81.2Confident20 Ų2062.2 Ų62.29%0.08832%0.318CS..  trans-137.1177.3175.354.4-90000107.9E28 L30 R109 I110 A113 L128 M149E28-F130 HydrophobicContact CB-CB 4.21Å; E28-F130 WeakPolarHBondContact O-CB 3.31Å; L30-F130 HydrophobicContact CB-CD2 3.77Å; L30-F130 HydrophobicContact CB-CE2 3.87Å; L30-F130 HydrophobicContact CD2-CD2 4.35Å; L30-F130 HydrophobicContact CD2-CE2 3.65Å; L30-F130 HydrophobicContact CD2-CZ 4.14Å; L30-F130 HydrophobicContact CG-CE2 4.43Å; R109-F130 HydrophobicContact CB-CE1 4.26Å; R109-F130 HydrophobicContact CB-CZ 4.1Å; I110-F130 HydrophobicContact CG1-CZ 4.02Å; A113-F130 HydrophobicContact CB-CE1 4.4Å; L128-F130 WeakPolarHBondContact O-CD1 3.47Å; F130-M149 HydrophobicContact CD1-CE 4.44Å; F130-M149 HydrophobicContact CD1-SD 4.42Å; F130-M149 HydrophobicContact CD2-SD 3.99Å; F130-M149 HydrophobicContact CE1-CE 4.1Å; F130-M149 HydrophobicContact CE1-SD 4.43Å; F130-M149 HydrophobicContact CE2-SD 4.01Å; F130-M149 HydrophobicContact CG-SD 4.19Å; F130-M149 HydrophobicContact CZ-CE 4.13Å; F130-M149 HydrophobicContact CZ-SD 4.23Å
131A96.9Very high83.2Confident0 Ų059.2 Ų59.20%030%0.304CS..EExtended strand (participates in β ladder)trans-96.4136.2168.800000110.3L27 E28 I29 L30 P150 F152L27-A131 HydrophobicContact CD1-CB 4.31Å; L27-A131 HydrophobicContact CD2-CB 4.37Å; L27-A131 HydrophobicContact CG-CB 4.36Å; E28-A131 PolarHBondContact O-N 3.28Å; I29-A131 CarbonylContact C-O 3.51Å; I29-A131 WeakPolarHBondContact CA-O 3.35Å; I29-A131 HydrophobicContact CB-CB 4.32Å; I29-A131 HydrophobicContact CG1-CB 4.01Å; I29-A131 HydrophobicContact CG2-CB 4.24Å; L30-A131 PolarHBondContact N-O 2.89Å; A131-P150 WeakPolarHBondContact CA-O 3.41Å; A131-P150 HydrophobicContact CB-CB 4.43Å; A131-P150 HydrophobicContact CB-CG 3.65Å; A131-F152 HydrophobicContact CB-CD2 3.99Å; A131-F152 HydrophobicContact CB-CE2 3.64Å
132L97.7Very high85.3Confident0 Ų057.1 Ų57.10%028%0.283CS..EExtended strand (participates in β ladder)trans-94.1126.5173.7-17967.8000109.6L30 I106 I110 L139 A143 P150 I151 F152L30-L132 HydrophobicContact CD2-CD1 4.5Å; I106-L132 HydrophobicContact CG2-CD1 3.91Å; I110-L132 HydrophobicContact CD1-CD2 4.09Å; L132-L139 HydrophobicContact CD2-CB 4.3Å; L132-A143 HydrophobicContact CD2-CB 3.65Å; L132-P150 PolarHBondContact N-O 3.05Å; L132-I151 CarbonylContact O-C 3.56Å; L132-I151 WeakPolarHBondContact O-CA 3.48Å; L132-F152 PolarHBondContact O-N 3.44Å
133A97.9Very high87.4Confident0 Ų049.5 Ų49.50%025%0.25CC..EExtended strand (participates in β ladder)trans-11293.8168.600000109.3I29 L30 V31 D32 F35 F50 F152I29-A133 HydrophobicContact CG2-CB 3.74Å; L30-A133 PolarHBondContact O-N 3.31Å; V31-A133 HydrophobicContact CG2-CB 4.24Å; D32-A133 PolarHBondContact N-O 3.38Å; F35-A133 VanDerWaalsContact CB-O 3.29Å; F35-A133 WeakPolarHBondContact CB-O 3.09Å; F35-A133 HydrophobicContact CD1-CB 4.14Å; F35-A133 HydrophobicContact CD2-CB 3.96Å; F35-A133 HydrophobicContact CE1-CB 4.09Å; F35-A133 HydrophobicContact CE2-CB 3.89Å; F35-A133 HydrophobicContact CG-CB 4.06Å; F35-A133 HydrophobicContact CZ-CB 3.96Å; F50-A133 HydrophobicContact CZ-CB 4.44Å; A133-F152 WeakPolarHBondContact CA-O 3.21Å; A133-F152 HydrophobicContact CB-CB 4.15Å
134S97.6Very high89.5Confident0 Ų048 Ų480%023%0.23CC..  trans-143.7144.3-178.3-176.40000110.7D32 T34 D136 Q140 F152D32-S134 PolarHBondContact OD2-OG 3.45Å; D32-S134 VanDerWaalsContact OD2-OG 3.06Å; T34-S134 PolarHBondContact OG1-OG 3.03Å; S134-D136 PolarHBondContact OG-N 3.23Å; S134-D136 VanDerWaalsContact OG-N 3.16Å; S134-Q140 PolarHBondContact O-NE2 3.43Å; S134-F152 PolarHBondContact N-O 3.28Å; S134-F152 VanDerWaalsContact N-O 3.09Å
135N96.5Very high91.2Very high47 Ų4741.9 Ų41.925%0.25122%0.217SC..  trans-98.3-2172.5-92.159000112.4T34 Q38 E137 I154T34-N135 PolarHBondContact OG1-N 3.26Å; Q38-N135 WeakPolarHBondContact CG-ND2 3.43Å; N135-E137 PolarHBondContact O-N 3.49Å; N135-I154 PolarHBondContact ND2-O 3.13Å; N135-I154 PolarHBondContact OD1-N 2.96Å
136D96.5Very high92.8Very high47 Ų4732.9 Ų32.925%0.25118%0.178SC..  trans-80.3114.1175.4-179.81.6000110.7T34 S134 S138 L139 Q140T34-D136 HydrophobicContact CG2-CB 4.35Å; S134-D136 PolarHBondContact OG-N 3.23Å; S134-D136 VanDerWaalsContact OG-N 3.16Å; D136-S138 PolarHBondContact O-N 2.94Å; D136-S138 WeakPolarHBondContact OD1-CB 3.48Å; D136-S138 PolarHBondContact OD1-N 2.82Å; D136-S138 PolarHBondContact OD1-OG 2.91Å; D136-S138 PolarHBondContact OD2-OG 2.8Å; D136-L139 HydrophobicContact CB-CB 4.35Å; D136-L139 HydrophobicContact CB-CD1 4.26Å; D136-L139 HydrophobicContact CB-CG 4.38Å; D136-L139 PolarHBondContact O-N 2.97Å; D136-Q140 WeakPolarHBondContact O-CG 3.34Å; D136-Q140 PolarHBondContact O-N 2.95Å
137E95.8Very high94Very high85 Ų8532 Ų3240%0.39717%0.165SC..Hα-helixtrans-58.8-33.8-180175.754.8-156.100112.1N135 Q140 Q141 R144N135-E137 PolarHBondContact O-N 3.49Å; E137-Q140 PolarHBondContact O-N 3.28Å; E137-Q140 PolarHBondContact OE2-OE1 3.35Å; E137-Q141 VanDerWaalsContact O-CG 3.29Å; E137-Q141 WeakPolarHBondContact O-CG 3.39Å; E137-Q141 PolarHBondContact O-N 2.79Å; E137-Q141 WeakPolarHBondContact OE1-CG 3.49Å; E137-Q141 PolarHBondContact OE1-NE2 3.49Å; E137-Q141 VanDerWaalsContact OE1-NE2 3.07Å; E137-R144 IonicContact OE1-CZ 3.87Å; E137-R144 IonicContact OE1-NH1 3.89Å; E137-R144 PolarHBondContact OE1-NH1 3.02Å; E137-R144 IonicContact OE1-NH2 3.15Å; E137-R144 PolarHBondContact OE1-NH2 2.93Å; E137-R144 IonicContact OE2-CZ 2.65Å; E137-R144 IonicContact OE2-NH1 3.65Å; E137-R144 IonicContact OE2-NH2 3.74Å; E137-R144 PolarHBondContact OE2-NH2 3.34Å
138S96.6Very high94.7Very high39 Ų3931.8 Ų31.827%0.27316%0.163SC..Hα-helixtrans-67.1-41.7-179.669.10000111.5F103 D136 Q141 Y142F103-S138 WeakPolarHBondContact CE2-OG 3.37Å; D136-S138 PolarHBondContact O-N 2.94Å; D136-S138 WeakPolarHBondContact OD1-CB 3.48Å; D136-S138 PolarHBondContact OD1-N 2.82Å; D136-S138 PolarHBondContact OD1-OG 2.91Å; D136-S138 PolarHBondContact OD2-OG 2.8Å; S138-Q141 PolarHBondContact O-N 2.75Å; S138-Y142 WeakPolarHBondContact O-CD2 3.2Å; S138-Y142 PolarHBondContact O-N 3.07Å
139L95.8Very high95.1Very high1 Ų129 Ų291%0.00515%0.149CC..Hα-helixtrans-66.3-39.7172.3-73.2176.8000112.2F103 I106 L132 D136 Q141 Y142 A143F103-L139 HydrophobicContact CD2-CD1 4.24Å; F103-L139 HydrophobicContact CD2-CD2 3.41Å; F103-L139 VanDerWaalsContact CD2-CD2 3.41Å; F103-L139 HydrophobicContact CD2-CG 3.56Å; F103-L139 HydrophobicContact CE2-CD2 3.49Å; F103-L139 VanDerWaalsContact CE2-CD2 3.49Å; F103-L139 HydrophobicContact CE2-CG 3.69Å; F103-L139 HydrophobicContact CG-CD2 4.26Å; F103-L139 HydrophobicContact CZ-CD2 4.43Å; I106-L139 HydrophobicContact CB-CD1 4.43Å; I106-L139 HydrophobicContact CB-CD2 3.99Å; I106-L139 HydrophobicContact CD1-CD1 3.83Å; I106-L139 HydrophobicContact CG2-CD1 4.27Å; I106-L139 HydrophobicContact CG2-CD2 3.87Å; L132-L139 HydrophobicContact CD2-CB 4.3Å; D136-L139 HydrophobicContact CB-CB 4.35Å; D136-L139 HydrophobicContact CB-CD1 4.26Å; D136-L139 HydrophobicContact CB-CG 4.38Å; D136-L139 PolarHBondContact O-N 2.97Å; L139-Q141 VanDerWaalsContact C-N 3.32Å; L139-Q141 PolarHBondContact O-N 2.93Å; L139-Y142 PolarHBondContact O-N 3.11Å; L139-A143 PolarHBondContact O-N 2.79Å
140Q96.5Very high95.4Very high15 Ų1528.2 Ų28.27%0.0715%0.145CC..Hα-helixtrans-60.4-41.8176.4-67.2179.816.300111.3S134 D136 E137 Y142 A143 R144 I151S134-Q140 PolarHBondContact O-NE2 3.43Å; D136-Q140 WeakPolarHBondContact O-CG 3.34Å; D136-Q140 PolarHBondContact O-N 2.95Å; E137-Q140 PolarHBondContact O-N 3.28Å; E137-Q140 PolarHBondContact OE2-OE1 3.35Å; Q140-Y142 VanDerWaalsContact C-N 3.35Å; Q140-Y142 PolarHBondContact O-N 3.32Å; Q140-A143 CarbonylContact O-C 3.58Å; Q140-A143 WeakPolarHBondContact O-CB 3.42Å; Q140-A143 PolarHBondContact O-N 2.7Å; Q140-R144 WeakPolarHBondContact O-CG 3.4Å; Q140-R144 PolarHBondContact O-N 3.04Å; Q140-I151 HydrophobicContact CB-CG2 4.36Å; Q140-I151 HydrophobicContact CG-CG2 3.76Å
141Q95.7Very high95.5Very high106 Ų10627.6 Ų27.650%0.49514%0.142SC..Hα-helixtrans-58.1-43.7176.1-73170.49.100112.6E137 S138 L139 A143 R144 A145E137-Q141 VanDerWaalsContact O-CG 3.29Å; E137-Q141 WeakPolarHBondContact O-CG 3.39Å; E137-Q141 PolarHBondContact O-N 2.79Å; E137-Q141 WeakPolarHBondContact OE1-CG 3.49Å; E137-Q141 PolarHBondContact OE1-NE2 3.49Å; E137-Q141 VanDerWaalsContact OE1-NE2 3.07Å; S138-Q141 PolarHBondContact O-N 2.75Å; L139-Q141 VanDerWaalsContact C-N 3.32Å; L139-Q141 PolarHBondContact O-N 2.93Å; Q141-A143 VanDerWaalsContact C-N 3.33Å; Q141-A143 PolarHBondContact O-N 3.18Å; Q141-R144 PolarHBondContact O-N 3.25Å; Q141-A145 PolarHBondContact O-N 3Å
142Y95.1Very high95.5Very high82 Ų8227.6 Ų27.632%0.32214%0.142SC..Hα-helixtrans-64.6-38.3174.6-69.9-73.6000112.1F103 K107 I110 S138 L139 Q140 A145F103-Y142 HydrophobicContact CE2-CE2 4.47Å; F103-Y142 HydrophobicContact CZ-CD2 4.29Å; F103-Y142 AromaticContact CZ-CE2 3.76Å; F103-Y142 HydrophobicContact CZ-CE2 3.76Å; K107-Y142 HydrophobicContact CD-CD1 4.47Å; K107-Y142 HydrophobicContact CD-CD2 4.39Å; K107-Y142 HydrophobicContact CD-CE1 4.06Å; K107-Y142 HydrophobicContact CD-CE2 4.06Å; K107-Y142 VanDerWaalsContact CE-CE1 3.48Å; K107-Y142 HydrophobicContact CG-CD1 4.37Å; K107-Y142 HydrophobicContact CG-CD2 4.45Å; K107-Y142 HydrophobicContact CG-CE1 4.44Å; K107-Y142 HydrophobicContact CG-CG 4.38Å; K107-Y142 PolarHBondContact NZ-OH 2.93Å; I110-Y142 WeakPolarHBondContact CG2-O 3.48Å; S138-Y142 WeakPolarHBondContact O-CD2 3.2Å; S138-Y142 PolarHBondContact O-N 3.07Å; L139-Y142 PolarHBondContact O-N 3.11Å; Q140-Y142 VanDerWaalsContact C-N 3.35Å; Q140-Y142 PolarHBondContact O-N 3.32Å; Y142-A145 WeakPolarHBondContact O-CB 3.01Å; Y142-A145 PolarHBondContact O-N 3.27Å
143A95.1Very high95.5Very high0 Ų030.2 Ų30.20%015%0.154CC..Hα-helixtrans-67.2-40177.200000112.3I110 L132 L139 Q140 Q141 A145 V146 M149 I151I110-A143 HydrophobicContact CD1-CB 4.29Å; L132-A143 HydrophobicContact CD2-CB 3.65Å; L139-A143 PolarHBondContact O-N 2.79Å; Q140-A143 CarbonylContact O-C 3.58Å; Q140-A143 WeakPolarHBondContact O-CB 3.42Å; Q140-A143 PolarHBondContact O-N 2.7Å; Q141-A143 VanDerWaalsContact C-N 3.33Å; Q141-A143 PolarHBondContact O-N 3.18Å; A143-A145 PolarHBondContact O-N 2.87Å; A143-V146 PolarHBondContact O-N 2.96Å; A143-M149 HydrophobicContact CB-CG 4.05Å; A143-I151 HydrophobicContact CB-CD1 3.58Å; A143-I151 HydrophobicContact CB-CG1 3.74Å
144R94.8Very high95.5Very high64 Ų6430.4 Ų30.424%0.24215%0.154CC..Hα-helixtrans-61.1-31.3176-69.6177.6-159.1126.84.7112.4E137 Q140 Q141 V146 I151 E162 P165E137-R144 IonicContact OE1-CZ 3.87Å; E137-R144 IonicContact OE1-NH1 3.89Å; E137-R144 PolarHBondContact OE1-NH1 3.02Å; E137-R144 IonicContact OE1-NH2 3.15Å; E137-R144 PolarHBondContact OE1-NH2 2.93Å; E137-R144 IonicContact OE2-CZ 2.65Å; E137-R144 IonicContact OE2-NH1 3.65Å; E137-R144 IonicContact OE2-NH2 3.74Å; E137-R144 PolarHBondContact OE2-NH2 3.34Å; Q140-R144 WeakPolarHBondContact O-CG 3.4Å; Q140-R144 PolarHBondContact O-N 3.04Å; Q141-R144 PolarHBondContact O-N 3.25Å; R144-V146 PolarHBondContact O-N 3.4Å; R144-I151 HydrophobicContact CB-CD1 4.43Å; R144-I151 HydrophobicContact CG-CD1 3.54Å; R144-E162 WeakPolarHBondContact CD-OE1 3.24Å; R144-E162 IonicContact CZ-OE1 3.49Å; R144-E162 IonicContact CZ-OE2 3.7Å; R144-E162 VanDerWaalsContact NE-CD 3.32Å; R144-E162 IonicContact NE-OE1 2.71Å; R144-E162 PolarHBondContact NE-OE1 3.07Å; R144-E162 IonicContact NE-OE2 2.87Å; R144-E162 PolarHBondContact NE-OE2 3.48Å; R144-E162 VanDerWaalsContact NE-OE2 3.15Å; R144-E162 IonicContact NH2-OE1 3.58Å; R144-E162 IonicContact NH2-OE2 3.56Å; R144-P165 HydrophobicContact CB-CG 4.2Å; R144-P165 HydrophobicContact CG-CG 4.15Å
145A92.7Very high95.4Very high49 Ų4931.6 Ų31.641%0.40516%0.164SC..THydrogen-bonded Turntrans-69.4-15.7175.500000113.3Q141 Y142 A143Q141-A145 PolarHBondContact O-N 3Å; Y142-A145 WeakPolarHBondContact O-CB 3.01Å; Y142-A145 PolarHBondContact O-N 3.27Å; A143-A145 PolarHBondContact O-N 2.87Å
146V92.3Very high95.2Very high5 Ų536.8 Ų36.83%0.0319%0.187CC..SBendtrans-96.8113.4176.6-172.70000109.5I110 R114 L129 A143 R144 G148 M149I110-V146 HydrophobicContact CG2-CG2 3.49Å; I110-V146 VanDerWaalsContact CG2-CG2 3.49Å; R114-V146 HydrophobicContact CB-CG1 4.21Å; R114-V146 HydrophobicContact CB-CG2 3.77Å; R114-V146 HydrophobicContact CG-CG2 4.19Å; L129-V146 HydrophobicContact CD2-CG1 3.83Å; A143-V146 PolarHBondContact O-N 2.96Å; R144-V146 PolarHBondContact O-N 3.4Å; V146-G148 PolarHBondContact O-N 3.42Å; V146-M149 HydrophobicContact CB-CB 4.13Å; V146-M149 HydrophobicContact CB-CE 4.32Å; V146-M149 HydrophobicContact CG1-CB 4.34Å; V146-M149 HydrophobicContact CG1-CE 4.08Å; V146-M149 PolarHBondContact O-N 3.27Å
147P91.8Very high95.1Very high25 Ų2543.4 Ų43.416%0.16221%0.208CC..THydrogen-bonded Turntrans-67.1131.2177.729.2-34.5000110.2F20 V168F20-P147 HydrophobicContact CD1-CB 3.98Å; F20-P147 HydrophobicContact CD1-CG 4.5Å; F20-P147 HydrophobicContact CE1-CB 3.62Å; F20-P147 HydrophobicContact CE1-CG 4.39Å; F20-P147 HydrophobicContact CZ-CB 3.93Å; P147-V168 HydrophobicContact CB-CG1 4.49Å; P147-V168 HydrophobicContact CB-CG2 4.2Å
148G91.8Very high95Very high1 Ų143.6 Ų43.61%0.0121%0.205CC..THydrogen-bonded Turntrans90.56.4179.200000116.1V146 P150V146-G148 PolarHBondContact O-N 3.42Å; G148-P150 VanDerWaalsContact O-CD 3.24Å; G148-P150 WeakPolarHBondContact O-CD 3.36Å
149M94.7Very high95Very high6 Ų641.8 Ų41.83%0.0319%0.193CC..  trans-93.9106.5175.8-173.884.464.700110.2I110 A113 L129 F130 A143 V146I110-M149 HydrophobicContact CG2-CE 4.41Å; A113-M149 HydrophobicContact CB-CE 3.83Å; L129-M149 HydrophobicContact CD2-CE 4.27Å; F130-M149 HydrophobicContact CD1-CE 4.44Å; F130-M149 HydrophobicContact CD1-SD 4.42Å; F130-M149 HydrophobicContact CD2-SD 3.99Å; F130-M149 HydrophobicContact CE1-CE 4.1Å; F130-M149 HydrophobicContact CE1-SD 4.43Å; F130-M149 HydrophobicContact CE2-SD 4.01Å; F130-M149 HydrophobicContact CG-SD 4.19Å; F130-M149 HydrophobicContact CZ-CE 4.13Å; F130-M149 HydrophobicContact CZ-SD 4.23Å; A143-M149 HydrophobicContact CB-CG 4.05Å; V146-M149 HydrophobicContact CB-CB 4.13Å; V146-M149 HydrophobicContact CB-CE 4.32Å; V146-M149 HydrophobicContact CG1-CB 4.34Å; V146-M149 HydrophobicContact CG1-CE 4.08Å; V146-M149 PolarHBondContact O-N 3.27Å
150P96.2Very high95Very high1 Ų142.2 Ų42.21%0.00620%0.195CC..  trans-71.4139173.925.3-29.9000111.6Y16 L22 A131 L132 G148 L161Y16-P150 HydrophobicContact CD2-CB 4.08Å; Y16-P150 HydrophobicContact CD2-CG 4.29Å; Y16-P150 HydrophobicContact CE2-CB 4.03Å; L22-P150 HydrophobicContact CD1-CG 4.48Å; L22-P150 HydrophobicContact CD2-CG 3.82Å; A131-P150 WeakPolarHBondContact CA-O 3.41Å; A131-P150 HydrophobicContact CB-CB 4.43Å; A131-P150 HydrophobicContact CB-CG 3.65Å; L132-P150 PolarHBondContact N-O 3.05Å; G148-P150 VanDerWaalsContact O-CD 3.24Å; G148-P150 WeakPolarHBondContact O-CD 3.36Å; P150-L161 HydrophobicContact CB-CD1 3.66Å
151I97.5Very high95Very high6 Ų642 Ų423%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-117.3119.8-177.8-59.3168000109.2L132 Q140 A143 R144 L161 E162L132-I151 CarbonylContact O-C 3.56Å; L132-I151 WeakPolarHBondContact O-CA 3.48Å; Q140-I151 HydrophobicContact CB-CG2 4.36Å; Q140-I151 HydrophobicContact CG-CG2 3.76Å; A143-I151 HydrophobicContact CB-CD1 3.58Å; A143-I151 HydrophobicContact CB-CG1 3.74Å; R144-I151 HydrophobicContact CB-CD1 4.43Å; R144-I151 HydrophobicContact CG-CD1 3.54Å; I151-L161 WeakPolarHBondContact O-CA 3.29Å; I151-E162 HydrophobicContact CB-CB 4.12Å; I151-E162 WeakPolarHBondContact CD1-OE2 3.21Å; I151-E162 PolarHBondContact O-N 3.38Å
152F97.6Very high95Very high0 Ų039 Ų390%018%0.18CC..EExtended strand (participates in β ladder)trans-103.9134.6173.3-63.3-71.9000110.6I29 F35 F50 L54 A131 L132 A133 S134 I159 N160 L161I29-F152 HydrophobicContact CD1-CE2 4.22Å; I29-F152 HydrophobicContact CG2-CD2 4.21Å; F35-F152 HydrophobicContact CE2-CB 4.34Å; F50-F152 HydrophobicContact CE1-CB 4.29Å; F50-F152 AromaticContact CE1-CD1 3.86Å; F50-F152 HydrophobicContact CE1-CD1 3.86Å; F50-F152 AromaticContact CE1-CD2 3.86Å; F50-F152 HydrophobicContact CE1-CD2 3.86Å; F50-F152 HydrophobicContact CE1-CE1 4.08Å; F50-F152 HydrophobicContact CE1-CE2 4.07Å; F50-F152 AromaticContact CE1-CG 3.74Å; F50-F152 HydrophobicContact CE1-CG 3.74Å; F50-F152 HydrophobicContact CE1-CZ 4.2Å; F50-F152 HydrophobicContact CZ-CB 4.25Å; F50-F152 HydrophobicContact CZ-CD2 4.19Å; F50-F152 HydrophobicContact CZ-CG 4.13Å; L54-F152 HydrophobicContact CD1-CZ 4.27Å; L54-F152 HydrophobicContact CD2-CE1 4.01Å; L54-F152 HydrophobicContact CD2-CZ 3.74Å; A131-F152 HydrophobicContact CB-CD2 3.99Å; A131-F152 HydrophobicContact CB-CE2 3.64Å; L132-F152 PolarHBondContact O-N 3.44Å; A133-F152 WeakPolarHBondContact CA-O 3.21Å; A133-F152 HydrophobicContact CB-CB 4.15Å; S134-F152 PolarHBondContact N-O 3.28Å; S134-F152 VanDerWaalsContact N-O 3.09Å; F152-I159 HydrophobicContact CB-CG2 4.01Å; F152-I159 HydrophobicContact CD1-CG2 3.99Å; F152-I159 HydrophobicContact CG-CG2 4.32Å; F152-N160 VanDerWaalsContact CA-O 3.31Å; F152-N160 WeakPolarHBondContact CA-O 3.42Å; F152-L161 HydrophobicContact CD1-CB 4Å; F152-L161 HydrophobicContact CD1-CD1 3.95Å; F152-L161 HydrophobicContact CE1-CB 3.8Å; F152-L161 HydrophobicContact CE1-CD1 3.62Å; F152-L161 HydrophobicContact CE1-CG 4.18Å; F152-L161 HydrophobicContact CE2-CD1 4.5Å; F152-L161 HydrophobicContact CZ-CD1 3.91Å
153F97.6Very high94.9Very high56 Ų5639.1 Ų39.125%0.24619%0.193CC..EExtended strand (participates in β ladder)trans-140.3154.1175.365.8-86.1000110.3A155 N160 E162F153-A155 HydrophobicContact CD2-CB 3.99Å; F153-A155 HydrophobicContact CE2-CB 3.82Å; F153-N160 HydrophobicContact CD1-CB 4.45Å; F153-N160 HydrophobicContact CD2-CB 4.43Å; F153-N160 HydrophobicContact CE1-CB 3.95Å; F153-N160 HydrophobicContact CE2-CB 3.93Å; F153-N160 HydrophobicContact CZ-CB 3.67Å; F153-N160 PolarHBondContact N-O 3.38Å; F153-N160 PolarHBondContact O-N 3.27Å; F153-E162 HydrophobicContact CE1-CB 4.26Å
154I97.4Very high94.9Very high3 Ų341.3 Ų41.32%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-98.3119.9179.6-70.7163.7000109.9F35 Q38 A39 Q42 L44 N135 R158 I159F35-I154 HydrophobicContact CD1-CD1 3.87Å; F35-I154 HydrophobicContact CD2-CD1 3.89Å; F35-I154 HydrophobicContact CD2-CG1 4.01Å; F35-I154 HydrophobicContact CE1-CD1 3.68Å; F35-I154 HydrophobicContact CE1-CG1 4.29Å; F35-I154 HydrophobicContact CE2-CD1 3.71Å; F35-I154 HydrophobicContact CE2-CG1 3.52Å; F35-I154 HydrophobicContact CG-CD1 3.99Å; F35-I154 HydrophobicContact CZ-CD1 3.6Å; F35-I154 HydrophobicContact CZ-CG1 3.68Å; F35-I154 WeakPolarHBondContact O-CD1 3.15Å; Q38-I154 HydrophobicContact CB-CB 4.34Å; Q38-I154 HydrophobicContact CB-CD1 4.42Å; Q38-I154 HydrophobicContact CB-CG2 4.44Å; Q38-I154 HydrophobicContact CG-CB 3.76Å; Q38-I154 HydrophobicContact CG-CG2 3.58Å; A39-I154 HydrophobicContact CB-CD1 3.65Å; Q42-I154 HydrophobicContact CB-CG2 4.46Å; Q42-I154 HydrophobicContact CG-CG2 4.25Å; L44-I154 HydrophobicContact CD1-CG1 4.39Å; L44-I154 HydrophobicContact CD1-CG2 3.62Å; N135-I154 PolarHBondContact ND2-O 3.13Å; N135-I154 PolarHBondContact OD1-N 2.96Å; I154-R158 WeakPolarHBondContact CA-O 3.33Å; I154-I159 HydrophobicContact CG1-CG1 4.01Å
155A95.1Very high94.9Very high25 Ų2539.3 Ų39.321%0.20720%0.2CC..  trans-150140.4173.200000110.3F153 R158 N160F153-A155 HydrophobicContact CD2-CB 3.99Å; F153-A155 HydrophobicContact CE2-CB 3.82Å; A155-R158 PolarHBondContact N-O 3.03Å; A155-R158 VanDerWaalsContact N-O 3.12Å; A155-R158 WeakPolarHBondContact O-CG 3.34Å; A155-N160 PolarHBondContact O-ND2 3.45Å
156H93.3Very high94.9Very high156 Ų15643.4 Ų43.472%0.72221%0.214SC*.SBendtrans5945.2-177-48.4-71000114.8R158H156-R158 VanDerWaalsContact C-N 3.29Å; H156-R158 PolarHBondContact O-N 3.4Å
157R94.1Very high94.9Very high186 Ų18647.4 Ų47.470%0.70224%0.24SC*.SBendtrans55.242.1178.8-57.9-174.7-176.1-178.80.1112.9Q42 L44Q42-R157 HydrophobicContact CB-CG 4.29Å; L44-R157 HydrophobicContact CD2-CB 4.31Å; L44-R157 VanDerWaalsContact CD2-O 3.26Å; L44-R157 WeakPolarHBondContact CD2-O 3.11Å
158R94Very high95Very high89 Ų8946.5 Ų46.534%0.33623%0.233SC..SBendtrans-162153.5179.361.1-165.1-146.5-161-5.4110.6R5 I154 A155 H156 N160R5-R158 VanDerWaalsContact NH2-NE 3.14Å; I154-R158 WeakPolarHBondContact CA-O 3.33Å; A155-R158 PolarHBondContact N-O 3.03Å; A155-R158 VanDerWaalsContact N-O 3.12Å; A155-R158 WeakPolarHBondContact O-CG 3.34Å; H156-R158 VanDerWaalsContact C-N 3.29Å; H156-R158 PolarHBondContact O-N 3.4Å; R158-N160 PolarHBondContact NE-OD1 2.83Å; R158-N160 PolarHBondContact NH2-OD1 3.41Å
159I96.3Very high95.1Very high2 Ų248.7 Ų48.71%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-80.6128.4169.6-56.3176.3000108F35 I46 Q49 F50 F152 I154F35-I159 HydrophobicContact CE1-CD1 4.44Å; F35-I159 HydrophobicContact CE2-CG2 4.45Å; F35-I159 HydrophobicContact CZ-CD1 3.95Å; F35-I159 HydrophobicContact CZ-CG1 4.01Å; F35-I159 HydrophobicContact CZ-CG2 4.1Å; I46-I159 HydrophobicContact CG2-CD1 4.39Å; Q49-I159 HydrophobicContact CB-CD1 3.56Å; Q49-I159 HydrophobicContact CB-CG1 4.04Å; Q49-I159 HydrophobicContact CG-CD1 4.5Å; F50-I159 HydrophobicContact CD1-CD1 4.27Å; F50-I159 HydrophobicContact CD2-CD1 3.9Å; F50-I159 HydrophobicContact CE1-CD1 4.13Å; F50-I159 HydrophobicContact CE1-CG2 3.78Å; F50-I159 HydrophobicContact CE2-CD1 3.76Å; F50-I159 HydrophobicContact CG-CD1 4.16Å; F50-I159 HydrophobicContact CZ-CD1 3.87Å; F50-I159 HydrophobicContact CZ-CG2 4.02Å; F152-I159 HydrophobicContact CB-CG2 4.01Å; F152-I159 HydrophobicContact CD1-CG2 3.99Å; F152-I159 HydrophobicContact CG-CG2 4.32Å; I154-I159 HydrophobicContact CG1-CG1 4.01Å
160N96Very high95.1Very high10 Ų1052.7 Ų52.75%0.05327%0.27CS..EExtended strand (participates in β ladder)trans-115.4137.7174.6-55.7-68.4000110.3Y9 F152 F153 A155 R158Y9-N160 WeakPolarHBondContact OH-CA 3.44Å; F152-N160 VanDerWaalsContact CA-O 3.31Å; F152-N160 WeakPolarHBondContact CA-O 3.42Å; F153-N160 HydrophobicContact CD1-CB 4.45Å; F153-N160 HydrophobicContact CD2-CB 4.43Å; F153-N160 HydrophobicContact CE1-CB 3.95Å; F153-N160 HydrophobicContact CE2-CB 3.93Å; F153-N160 HydrophobicContact CZ-CB 3.67Å; F153-N160 PolarHBondContact N-O 3.38Å; F153-N160 PolarHBondContact O-N 3.27Å; A155-N160 PolarHBondContact O-ND2 3.45Å; R158-N160 PolarHBondContact NE-OD1 2.83Å; R158-N160 PolarHBondContact NH2-OD1 3.41Å
161L96.5Very high94.8Very high11 Ų1156.3 Ų56.36%0.05829%0.289CS..EExtended strand (participates in β ladder)trans-86.5132.4164.4-178.966.3000108.8Y9 T12 P150 I151 F152Y9-L161 HydrophobicContact CD1-CB 3.65Å; Y9-L161 HydrophobicContact CD1-CD2 3.8Å; Y9-L161 HydrophobicContact CD1-CG 4.32Å; Y9-L161 HydrophobicContact CD2-CB 3.86Å; Y9-L161 HydrophobicContact CD2-CD2 4.43Å; Y9-L161 HydrophobicContact CE1-CB 3.51Å; Y9-L161 HydrophobicContact CE1-CD2 4.47Å; Y9-L161 HydrophobicContact CE2-CB 3.71Å; Y9-L161 HydrophobicContact CG-CB 3.86Å; Y9-L161 HydrophobicContact CG-CD2 3.81Å; Y9-L161 PolarHBondContact OH-N 3.28Å; T12-L161 HydrophobicContact CG2-CD2 3.88Å; P150-L161 HydrophobicContact CB-CD1 3.66Å; I151-L161 WeakPolarHBondContact O-CA 3.29Å; F152-L161 HydrophobicContact CD1-CB 4Å; F152-L161 HydrophobicContact CD1-CD1 3.95Å; F152-L161 HydrophobicContact CE1-CB 3.8Å; F152-L161 HydrophobicContact CE1-CD1 3.62Å; F152-L161 HydrophobicContact CE1-CG 4.18Å; F152-L161 HydrophobicContact CE2-CD1 4.5Å; F152-L161 HydrophobicContact CZ-CD1 3.91Å
162E95.4Very high94.6Very high41 Ų4157.1 Ų57.119%0.19229%0.293CS..PPolyproline II helixtrans-64.3144.4173.2-160.5179.5158.600111.4R144 I151 F153R144-E162 WeakPolarHBondContact CD-OE1 3.24Å; R144-E162 IonicContact CZ-OE1 3.49Å; R144-E162 IonicContact CZ-OE2 3.7Å; R144-E162 VanDerWaalsContact NE-CD 3.32Å; R144-E162 IonicContact NE-OE1 2.71Å; R144-E162 PolarHBondContact NE-OE1 3.07Å; R144-E162 IonicContact NE-OE2 2.87Å; R144-E162 PolarHBondContact NE-OE2 3.48Å; R144-E162 VanDerWaalsContact NE-OE2 3.15Å; R144-E162 IonicContact NH2-OE1 3.58Å; R144-E162 IonicContact NH2-OE2 3.56Å; I151-E162 HydrophobicContact CB-CB 4.12Å; I151-E162 WeakPolarHBondContact CD1-OE2 3.21Å; I151-E162 PolarHBondContact O-N 3.38Å; F153-E162 HydrophobicContact CE1-CB 4.26Å
163S93.8Very high94.3Very high86 Ų8662.5 Ų62.560%0.60132%0.318SS*.PPolyproline II helixtrans-63.8157.3170.2-63.80000110.7P165S163-P165 WeakPolarHBondContact O-CD 3.29Å
164I93.9Very high94Very high45 Ų4564.7 Ų64.723%0.23133%0.329CS..PPolyproline II helixtrans-60125.2177.7-59.6173.1000109T12 L15 Y16 V168T12-I164 HydrophobicContact CG2-CD1 4.4Å; T12-I164 HydrophobicContact CG2-CG1 3.89Å; L15-I164 HydrophobicContact CD1-CD1 3.81Å; Y16-I164 HydrophobicContact CE1-CG1 4.28Å; Y16-I164 HydrophobicContact CE1-CG2 4.48Å; I164-V168 HydrophobicContact CG2-CB 3.87Å; I164-V168 HydrophobicContact CG2-CG1 3.86Å
165P94.4Very high93.5Very high23 Ų2367.8 Ų67.815%0.14934%0.342CS..PPolyproline II helixtrans-60.1147.1177.7-2534.4000112.1R144 S163 P167 V168 S169R144-P165 HydrophobicContact CB-CG 4.2Å; R144-P165 HydrophobicContact CG-CG 4.15Å; S163-P165 WeakPolarHBondContact O-CD 3.29Å; P165-P167 VanDerWaalsContact C-CD 3.48Å; P165-V168 HydrophobicContact CB-CG2 4.26Å; P165-V168 HydrophobicContact CG-CG2 4.4Å; P165-V168 WeakPolarHBondContact O-CB 3.49Å; P165-V168 PolarHBondContact O-N 3.29Å; P165-S169 PolarHBondContact O-N 2.74Å
166I93.9Very high93.2Very high135 Ų13569.6 Ų69.669%0.69236%0.357SS*.Hα-helixtrans-51.6-47.5-178.4-58.8167.2000112.4V168 S169 L170I166-V168 VanDerWaalsContact C-N 3.28Å; I166-V168 PolarHBondContact O-N 2.92Å; I166-S169 WeakPolarHBondContact O-CB 3.25Å; I166-S169 PolarHBondContact O-N 2.96Å; I166-S169 VanDerWaalsContact O-N 3.15Å; I166-L170 HydrophobicContact CG2-CD1 4.31Å; I166-L170 HydrophobicContact CG2-CG 4.49Å; I166-L170 WeakPolarHBondContact O-CG 3.18Å; I166-L170 PolarHBondContact O-N 3.05Å
167P92.7Very high92.9Very high89 Ų8967.4 Ų67.458%0.57836%0.355SS*.Hα-helixtrans-61-36.4179.6-23.134.8000113.1P165 L171P165-P167 VanDerWaalsContact C-CD 3.48Å; P167-L171 VanDerWaalsContact O-CG 3.32Å; P167-L171 WeakPolarHBondContact O-CG 3.38Å; P167-L171 PolarHBondContact O-N 3.35Å; P167-L171 VanDerWaalsContact O-N 3.11Å
168V92.5Very high92.4Very high5 Ų568 Ų683%0.0336%0.357CS..Hα-helixtrans-71.4-39.1178.4-177.30000110.4Y16 F20 P147 I164 P165 I166 L170 L171 L172Y16-V168 HydrophobicContact CE1-CG1 4.25Å; F20-V168 HydrophobicContact CE2-CG1 3.77Å; F20-V168 HydrophobicContact CZ-CG1 3.72Å; P147-V168 HydrophobicContact CB-CG1 4.49Å; P147-V168 HydrophobicContact CB-CG2 4.2Å; I164-V168 HydrophobicContact CG2-CB 3.87Å; I164-V168 HydrophobicContact CG2-CG1 3.86Å; P165-V168 HydrophobicContact CB-CG2 4.26Å; P165-V168 HydrophobicContact CG-CG2 4.4Å; P165-V168 WeakPolarHBondContact O-CB 3.49Å; P165-V168 PolarHBondContact O-N 3.29Å; I166-V168 VanDerWaalsContact C-N 3.28Å; I166-V168 PolarHBondContact O-N 2.92Å; V168-L170 PolarHBondContact O-N 3.07Å; V168-L171 PolarHBondContact O-N 2.98Å; V168-L172 HydrophobicContact CG1-CD1 4.42Å; V168-L172 WeakPolarHBondContact O-CG 3.48Å; V168-L172 PolarHBondContact O-N 2.73Å
169S93.9Very high91.7Very high47 Ų4766 Ų6633%0.32936%0.36SS..Hα-helixtrans-61.1-43.1174.9-1700000112P165 I166 L172 Q173P165-S169 PolarHBondContact O-N 2.74Å; I166-S169 WeakPolarHBondContact O-CB 3.25Å; I166-S169 PolarHBondContact O-N 2.96Å; I166-S169 VanDerWaalsContact O-N 3.15Å; S169-L172 PolarHBondContact O-N 2.87Å; S169-Q173 WeakPolarHBondContact O-CG 3.33Å; S169-Q173 PolarHBondContact O-N 2.89Å
170L94.3Very high90.6Very high91 Ų9172 Ų7248%0.47640%0.399SS..Hα-helixtrans-62.9-42175.5-68.5174.9000111.7I166 V168 L172 Q173 Q174I166-L170 HydrophobicContact CG2-CD1 4.31Å; I166-L170 HydrophobicContact CG2-CG 4.49Å; I166-L170 WeakPolarHBondContact O-CG 3.18Å; I166-L170 PolarHBondContact O-N 3.05Å; V168-L170 PolarHBondContact O-N 3.07Å; L170-L172 VanDerWaalsContact C-N 3.33Å; L170-L172 PolarHBondContact O-N 3.49Å; L170-Q173 PolarHBondContact O-N 3.11Å; L170-Q174 WeakPolarHBondContact O-CG 3.45Å; L170-Q174 PolarHBondContact O-N 3.39Å
171L91.8Very high89.5Confident77 Ų7777.5 Ų77.540%0.40343%0.429SS..Hα-helixtrans-61.7-39.9174.9-71.8173.5000112.3P167 V168 Q174 K175P167-L171 VanDerWaalsContact O-CG 3.32Å; P167-L171 WeakPolarHBondContact O-CG 3.38Å; P167-L171 PolarHBondContact O-N 3.35Å; P167-L171 VanDerWaalsContact O-N 3.11Å; V168-L171 PolarHBondContact O-N 2.98Å; L171-Q174 PolarHBondContact O-N 3.47Å; L171-K175 WeakPolarHBondContact O-CG 3.31Å; L171-K175 PolarHBondContact O-N 3.15Å
172L91.9Very high88.7Confident22 Ų2282 Ų8212%0.11545%0.452CS..Hα-helixtrans-66.4-40.8176.2-70.7173.4000111.8H19 F20 V168 S169 L170 K175 A176H19-L172 HydrophobicContact CB-CD2 3.71Å; F20-L172 HydrophobicContact CE2-CD2 3.99Å; F20-L172 HydrophobicContact CE2-CG 4.45Å; F20-L172 HydrophobicContact CZ-CD2 3.89Å; F20-L172 HydrophobicContact CZ-CG 4.27Å; V168-L172 HydrophobicContact CG1-CD1 4.42Å; V168-L172 WeakPolarHBondContact O-CG 3.48Å; V168-L172 PolarHBondContact O-N 2.73Å; S169-L172 PolarHBondContact O-N 2.87Å; L170-L172 VanDerWaalsContact C-N 3.33Å; L170-L172 PolarHBondContact O-N 3.49Å; L172-K175 PolarHBondContact O-N 3.26Å; L172-A176 PolarHBondContact O-N 2.71Å
173Q92.3Very high88Confident114 Ų11482.9 Ų82.953%0.53346%0.46SS..Hα-helixtrans-62.8-45.9174.5-73.8174.6-17.600111.7S169 L170 K175 A176 T177S169-Q173 WeakPolarHBondContact O-CG 3.33Å; S169-Q173 PolarHBondContact O-N 2.89Å; L170-Q173 PolarHBondContact O-N 3.11Å; Q173-K175 VanDerWaalsContact C-N 3.31Å; Q173-K175 PolarHBondContact O-N 3.35Å; Q173-A176 WeakPolarHBondContact O-CB 3.44Å; Q173-A176 PolarHBondContact O-N 2.91Å; Q173-A176 VanDerWaalsContact O-N 3.08Å; Q173-T177 PolarHBondContact O-N 3.15Å; Q173-T177 PolarHBondContact O-OG1 3.34Å; Q173-T177 VanDerWaalsContact O-OG1 3.13Å
174Q91.2Very high87.6Confident101 Ų10183.9 Ų83.947%0.47247%0.465SS..Hα-helixtrans-60-40.2175.5-72.8175.6-5.500112.3L170 L171 A176 T177 R178L170-Q174 WeakPolarHBondContact O-CG 3.45Å; L170-Q174 PolarHBondContact O-N 3.39Å; L171-Q174 PolarHBondContact O-N 3.47Å; Q174-A176 VanDerWaalsContact C-N 3.33Å; Q174-T177 PolarHBondContact O-N 2.83Å; Q174-R178 WeakPolarHBondContact O-CB 3.5Å; Q174-R178 VanDerWaalsContact O-CG 3.31Å; Q174-R178 WeakPolarHBondContact O-CG 3.33Å; Q174-R178 PolarHBondContact O-N 3.26Å
175K87.3Confident87.2Confident68 Ų6884.9 Ų84.930%0.29648%0.476SS..Hα-helixtrans-64.3-37.6173.8-78.2-173.3172.5-165.70112.2H19 L171 L172 Q173 R178 A179H19-K175 PolarHBondContact O-NZ 3.13Å; L171-K175 WeakPolarHBondContact O-CG 3.31Å; L171-K175 PolarHBondContact O-N 3.15Å; L172-K175 PolarHBondContact O-N 3.26Å; Q173-K175 VanDerWaalsContact C-N 3.31Å; Q173-K175 PolarHBondContact O-N 3.35Å; K175-R178 PolarHBondContact O-N 2.96Å; K175-A179 PolarHBondContact O-N 3.24Å
176A88Confident86.9Confident63 Ų6388 Ų8852%0.52149%0.488SS..Hα-helixtrans-66-41.8176.100000111.8L172 Q173 Q174 R178 A179L172-A176 PolarHBondContact O-N 2.71Å; Q173-A176 WeakPolarHBondContact O-CB 3.44Å; Q173-A176 PolarHBondContact O-N 2.91Å; Q173-A176 VanDerWaalsContact O-N 3.08Å; Q174-A176 VanDerWaalsContact C-N 3.33Å; A176-R178 VanDerWaalsContact C-N 3.34Å; A176-R178 PolarHBondContact O-N 3.46Å; A176-A179 WeakPolarHBondContact O-CB 3.37Å; A176-A179 PolarHBondContact O-N 3.08Å
177T87.7Confident86.6Confident111 Ų11183.6 Ų83.668%0.68147%0.469SS*.Hα-helixtrans-70.1-27.9177.1-49.70000113.4Q173 Q174Q173-T177 PolarHBondContact O-N 3.15Å; Q173-T177 PolarHBondContact O-OG1 3.34Å; Q173-T177 VanDerWaalsContact O-OG1 3.13Å; Q174-T177 PolarHBondContact O-N 2.83Å
178R83.5Confident86.3Confident197 Ų19782.4 Ų82.474%0.74346%0.463SS*.Hα-helixtrans-85.1-16.3176-71.5177.6-175.4-179.81.6113.6Q174 K175 A176Q174-R178 WeakPolarHBondContact O-CB 3.5Å; Q174-R178 VanDerWaalsContact O-CG 3.31Å; Q174-R178 WeakPolarHBondContact O-CG 3.33Å; Q174-R178 PolarHBondContact O-N 3.26Å; K175-R178 PolarHBondContact O-N 2.96Å; A176-R178 VanDerWaalsContact C-N 3.34Å; A176-R178 PolarHBondContact O-N 3.46Å
179A79.1Confident86.3Confident47 Ų4787.9 Ų87.939%0.38849%0.487SS..SBendtrans-57137.8173.800000107.4K175 A176 D181K175-A179 PolarHBondContact O-N 3.24Å; A176-A179 WeakPolarHBondContact O-CB 3.37Å; A176-A179 PolarHBondContact O-N 3.08Å; A179-D181 PolarHBondContact O-N 2.9Å
180P72.5Confident86Confident129 Ų12989.3 Ų89.384%0.83849%0.49SS*.  trans-58109-178.923.5-32.3000108.3
181D72.8Confident85.7Confident126 Ų12691.8 Ų91.867%0.67450%0.497SS*.PPolyproline II helixtrans-65146.4167.9-75.2-34.5000107.8A179 T183A179-D181 PolarHBondContact O-N 2.9Å; D181-T183 PolarHBondContact O-N 3.01Å; D181-T183 VanDerWaalsContact O-N 3.15Å
182L79.2Confident85.5Confident104 Ų10494.3 Ų94.355%0.54551%0.506SS..PPolyproline II helixtrans-57.8123.3173.5-68.3167000108.4E186 C187 I190L182-E186 HydrophobicContact CB-CB 4.45Å; L182-E186 HydrophobicContact CD2-CB 4.22Å; L182-C187 WeakPolarHBondContact CB-SG 3.37Å; L182-I190 HydrophobicContact CD1-CD1 3.63Å; L182-I190 HydrophobicContact CD2-CD1 3.76Å; L182-I190 HydrophobicContact CG-CD1 4.28Å
183T82.2Confident85.4Confident61 Ų6198.8 Ų98.837%0.37453%0.525SS..PPolyproline II helixtrans-57.3152172.462.90000109.2D181 S185 E186 C187D181-T183 PolarHBondContact O-N 3.01Å; D181-T183 VanDerWaalsContact O-N 3.15Å; T183-S185 PolarHBondContact O-N 3.03Å; T183-S185 PolarHBondContact OG1-OG 3.37Å; T183-E186 WeakPolarHBondContact CB-OE2 3.49Å; T183-E186 WeakPolarHBondContact CG2-OE2 3.41Å; T183-E186 PolarHBondContact N-OE2 2.94Å; T183-E186 PolarHBondContact O-N 3.03Å; T183-E186 WeakPolarHBondContact OG1-CB 3.36Å; T183-E186 WeakPolarHBondContact OG1-CG 3.45Å; T183-E186 PolarHBondContact OG1-N 3.12Å; T183-E186 VanDerWaalsContact OG1-N 3.17Å; T183-E186 PolarHBondContact OG1-OE2 2.85Å; T183-C187 PolarHBondContact O-N 2.95Å; T183-C187 PolarHBondContact O-SG 3.34Å; T183-C187 VanDerWaalsContact O-SG 3.39Å
184P84.2Confident85.2Confident107 Ų10795.3 Ų95.370%0.69551%0.513SS*.Hα-helixtrans-56.8-28.4177.321.8-33.5000112.4S188P184-S188 WeakPolarHBondContact O-CB 3.32Å; P184-S188 PolarHBondContact O-N 3.37Å; P184-S188 PolarHBondContact O-OG 2.96Å
185S85.8Confident84.9Confident66 Ų6696.8 Ų96.846%0.46252%0.524SS..Hα-helixtrans-69.3-42.6174790000112.9T183 S188 K189T183-S185 PolarHBondContact O-N 3.03Å; T183-S185 PolarHBondContact OG1-OG 3.37Å; S185-S188 PolarHBondContact O-N 3.14Å; S185-K189 WeakPolarHBondContact O-CG 3.32Å; S185-K189 PolarHBondContact O-N 3.43Å
186E88.1Confident84.9Confident87 Ų87103.2 Ų103.241%0.40755%0.546SS..Hα-helixtrans-67.5-41.2174.9-72.7161.1155.400110.8L182 T183 S188 K189 I190L182-E186 HydrophobicContact CB-CB 4.45Å; L182-E186 HydrophobicContact CD2-CB 4.22Å; T183-E186 WeakPolarHBondContact CB-OE2 3.49Å; T183-E186 WeakPolarHBondContact CG2-OE2 3.41Å; T183-E186 PolarHBondContact N-OE2 2.94Å; T183-E186 PolarHBondContact O-N 3.03Å; T183-E186 WeakPolarHBondContact OG1-CB 3.36Å; T183-E186 WeakPolarHBondContact OG1-CG 3.45Å; T183-E186 PolarHBondContact OG1-N 3.12Å; T183-E186 VanDerWaalsContact OG1-N 3.17Å; T183-E186 PolarHBondContact OG1-OE2 2.85Å; E186-S188 VanDerWaalsContact C-N 3.29Å; E186-S188 PolarHBondContact O-N 3.42Å; E186-K189 PolarHBondContact O-N 2.88Å; E186-I190 WeakPolarHBondContact O-CB 3.48Å; E186-I190 WeakPolarHBondContact O-CD1 3.42Å; E186-I190 WeakPolarHBondContact O-CG1 3.31Å; E186-I190 PolarHBondContact O-N 3.17Å
187C86.9Confident84.9Confident44 Ų44106.9 Ų106.930%0.29755%0.551SS.*Hα-helixtrans-56-44.6172.7-68.90000111.6L182 T183 I190 K191L182-C187 WeakPolarHBondContact CB-SG 3.37Å; T183-C187 PolarHBondContact O-N 2.95Å; T183-C187 PolarHBondContact O-SG 3.34Å; T183-C187 VanDerWaalsContact O-SG 3.39Å; C187-I190 PolarHBondContact O-N 3.22Å; C187-K191 WeakPolarHBondContact O-CG 3.46Å; C187-K191 PolarHBondContact O-N 3.49Å
188S88Confident84.4Confident64 Ų64104.3 Ų104.345%0.44855%0.546SS..Hα-helixtrans-65.2-43.3177.2-62.40000112.2P184 S185 E186 K191 Q192P184-S188 WeakPolarHBondContact O-CB 3.32Å; P184-S188 PolarHBondContact O-N 3.37Å; P184-S188 PolarHBondContact O-OG 2.96Å; S185-S188 PolarHBondContact O-N 3.14Å; E186-S188 VanDerWaalsContact C-N 3.29Å; E186-S188 PolarHBondContact O-N 3.42Å; S188-K191 PolarHBondContact O-N 3.03Å; S188-Q192 WeakPolarHBondContact O-CG 3.41Å; S188-Q192 PolarHBondContact O-N 3.41Å
189K91Very high83.6Confident120 Ų120101.9 Ų101.952%0.52254%0.541SS..Hα-helixtrans-62.2-42.5175.2-72.1173.9-176.2173.40111.8S185 E186 K191 Q192 F193S185-K189 WeakPolarHBondContact O-CG 3.32Å; S185-K189 PolarHBondContact O-N 3.43Å; E186-K189 PolarHBondContact O-N 2.88Å; K189-K191 PolarHBondContact O-N 3.18Å; K189-Q192 PolarHBondContact O-N 3.27Å; K189-F193 WeakPolarHBondContact O-CD2 3.4Å; K189-F193 PolarHBondContact O-N 3.18Å
190I87.4Confident82.8Confident77 Ų77103.7 Ų103.740%0.39555%0.552SS.*Hα-helixtrans-60.5-46176.8-69.4162.7000110.2L182 E186 C187 Q192 F193 C194L182-I190 HydrophobicContact CD1-CD1 3.63Å; L182-I190 HydrophobicContact CD2-CD1 3.76Å; L182-I190 HydrophobicContact CG-CD1 4.28Å; E186-I190 WeakPolarHBondContact O-CB 3.48Å; E186-I190 WeakPolarHBondContact O-CD1 3.42Å; E186-I190 WeakPolarHBondContact O-CG1 3.31Å; E186-I190 PolarHBondContact O-N 3.17Å; C187-I190 PolarHBondContact O-N 3.22Å; I190-Q192 PolarHBondContact O-N 3.45Å; I190-F193 PolarHBondContact O-N 3.5Å; I190-C194 PolarHBondContact O-N 3.28Å; I190-C194 PolarHBondContact O-SG 2.95Å
191K88.2Confident82.3Confident143 Ų143106.7 Ų106.762%0.62255%0.554SS**Hα-helixtrans-59.2-46.6175.1-72.5176.6-179.8-177.70112.3C187 S188 K189 F193 C194 D195C187-K191 WeakPolarHBondContact O-CG 3.46Å; C187-K191 PolarHBondContact O-N 3.49Å; S188-K191 PolarHBondContact O-N 3.03Å; K189-K191 PolarHBondContact O-N 3.18Å; K191-F193 VanDerWaalsContact C-N 3.29Å; K191-F193 PolarHBondContact O-N 3Å; K191-C194 WeakPolarHBondContact O-CB 3.34Å; K191-C194 PolarHBondContact O-N 3.01Å; K191-C194 VanDerWaalsContact O-N 3.12Å; K191-D195 PolarHBondContact O-N 2.96Å
192Q89.2Confident81.5Confident130 Ų130106.7 Ų106.761%0.60755%0.55SS**Hα-helixtrans-58.5-39.5176-72.1172.52.400112.6S188 K189 I190 R196S188-Q192 WeakPolarHBondContact O-CG 3.41Å; S188-Q192 PolarHBondContact O-N 3.41Å; K189-Q192 PolarHBondContact O-N 3.27Å; I190-Q192 PolarHBondContact O-N 3.45Å; Q192-R196 WeakPolarHBondContact O-CB 3.41Å; Q192-R196 PolarHBondContact O-N 3.27Å
193F88.9Confident80.2Confident115 Ų115106.3 Ų106.350%0.50456%0.556SS.*Hα-helixtrans-68.1-41.1174.7-76.8-59.2000112.2K189 I190 K191 D195 R196 F197K189-F193 WeakPolarHBondContact O-CD2 3.4Å; K189-F193 PolarHBondContact O-N 3.18Å; I190-F193 PolarHBondContact O-N 3.5Å; K191-F193 VanDerWaalsContact C-N 3.29Å; K191-F193 PolarHBondContact O-N 3Å; F193-D195 VanDerWaalsContact C-N 3.32Å; F193-D195 PolarHBondContact O-N 3.28Å; F193-R196 PolarHBondContact O-N 3.11Å; F193-F197 HydrophobicContact CB-CD2 4.44Å; F193-F197 HydrophobicContact CD1-CD2 4.31Å; F193-F197 AromaticContact CD1-CE2 3.8Å; F193-F197 HydrophobicContact CD1-CE2 3.8Å; F193-F197 HydrophobicContact CE1-CE2 4.47Å; F193-F197 VanDerWaalsContact O-CD2 3.28Å; F193-F197 WeakPolarHBondContact O-CD2 3.28Å; F193-F197 PolarHBondContact O-N 3.5Å
194C87.1Confident78.9Confident42 Ų42112.5 Ų112.528%0.28457%0.574SS.*Hα-helixtrans-57.6-46.1174.9-690000111.3I190 K191 G198 F199I190-C194 PolarHBondContact O-N 3.28Å; I190-C194 PolarHBondContact O-SG 2.95Å; K191-C194 WeakPolarHBondContact O-CB 3.34Å; K191-C194 PolarHBondContact O-N 3.01Å; K191-C194 VanDerWaalsContact O-N 3.12Å; C194-G198 PolarHBondContact O-N 3.15Å; C194-G198 VanDerWaalsContact O-N 3.08Å; C194-F199 HydrophobicContact CB-CB 4.19Å; C194-F199 PolarHBondContact O-N 2.87Å
195D85.8Confident77.4Confident132 Ų132112.8 Ų112.871%0.70657%0.574SS**Hα-helixtrans-64.7-43.2178.7-63.9-26.3000111.8K191 F193 F197 G198K191-D195 PolarHBondContact O-N 2.96Å; F193-D195 VanDerWaalsContact C-N 3.32Å; F193-D195 PolarHBondContact O-N 3.28Å; D195-F197 PolarHBondContact O-N 2.97Å; D195-G198 PolarHBondContact O-N 2.97Å
196R88.3Confident75.8Confident202 Ų202120.7 Ų120.776%0.76259%0.594SS**Hα-helixtrans-67.1-36.5-178.2-170.9177.5-174.91772.2113.4Q192 F193Q192-R196 WeakPolarHBondContact O-CB 3.41Å; Q192-R196 PolarHBondContact O-N 3.27Å; F193-R196 PolarHBondContact O-N 3.11Å
197F87.2Confident74.1Confident140 Ų140127.4 Ų127.461%0.61462%0.615SS**THydrogen-bonded Turntrans-95.94.6-179.2-69.6-71.2000113.3F193 D195 F199F193-F197 HydrophobicContact CB-CD2 4.44Å; F193-F197 HydrophobicContact CD1-CD2 4.31Å; F193-F197 AromaticContact CD1-CE2 3.8Å; F193-F197 HydrophobicContact CD1-CE2 3.8Å; F193-F197 HydrophobicContact CE1-CE2 4.47Å; F193-F197 VanDerWaalsContact O-CD2 3.28Å; F193-F197 WeakPolarHBondContact O-CD2 3.28Å; F193-F197 PolarHBondContact O-N 3.5Å; D195-F197 PolarHBondContact O-N 2.97Å; F197-F199 VanDerWaalsContact C-N 3.29Å; F197-F199 HydrophobicContact CB-CD2 3.61Å; F197-F199 HydrophobicContact CB-CE2 3.54Å; F197-F199 HydrophobicContact CG-CE2 4.38Å; F197-F199 PolarHBondContact O-N 2.99Å
198G77Confident72.7Confident57 Ų57135 Ų13559%0.58864%0.644SS**THydrogen-bonded Turntrans70.423.1177.700000114C194 D195 S200C194-G198 PolarHBondContact O-N 3.15Å; C194-G198 VanDerWaalsContact O-N 3.08Å; D195-G198 PolarHBondContact O-N 2.97Å; G198-S200 PolarHBondContact O-N 3.19Å
199F66.7Low71.3Confident146 Ų146141.1 Ų141.164%0.6466%0.662SS**  trans-78.876.5168.7-63.9-72.2000108.8C194 F197C194-F199 HydrophobicContact CB-CB 4.19Å; C194-F199 PolarHBondContact O-N 2.87Å; F197-F199 VanDerWaalsContact C-N 3.29Å; F197-F199 HydrophobicContact CB-CD2 3.61Å; F197-F199 HydrophobicContact CB-CE2 3.54Å; F197-F199 HydrophobicContact CG-CE2 4.38Å; F197-F199 PolarHBondContact O-N 2.99Å
200S62.7Low69.8Low86 Ų86142.1 Ų142.160%0.60168%0.678SS**  trans-69.1132.2163.455.80000108.2G198 E202G198-S200 PolarHBondContact O-N 3.19Å; S200-E202 PolarHBondContact O-N 2.73Å
201E61.4Low68.3Low192 Ų192148.1 Ų148.190%0.89770%0.701SS**  trans-65.285.9159.1-73.8-173.3174.400106.6S203E201-S203 PolarHBondContact O-N 3.18Å
202E56.1Low67.4Low126 Ų126143.9 Ų143.959%0.58970%0.698SS**  trans-60.693.5161.6-73.5-16917400105.8S200 Y204S200-E202 PolarHBondContact O-N 2.73Å; E202-Y204 HydrophobicContact CB-CE1 4.22Å; E202-Y204 VanDerWaalsContact O-CD2 3.28Å; E202-Y204 WeakPolarHBondContact O-CD2 3.28Å; E202-Y204 WeakPolarHBondContact O-CE2 3.17Å; E202-Y204 PolarHBondContact O-N 2.85Å
203S53Low66.3Low96 Ų96142.3 Ų142.367%0.67170%0.699SS**  trans-6095.3164.960.90000105.5E201 T205E201-S203 PolarHBondContact O-N 3.18Å; S203-T205 PolarHBondContact O-N 3.37Å
204Y54.3Low65.3Low191 Ų191141.2 Ų141.275%0.74970%0.699SS**  trans-65.978.6164.4-44.7-82.5000105.5E202 R206E202-Y204 HydrophobicContact CB-CE1 4.22Å; E202-Y204 VanDerWaalsContact O-CD2 3.28Å; E202-Y204 WeakPolarHBondContact O-CD2 3.28Å; E202-Y204 WeakPolarHBondContact O-CE2 3.17Å; E202-Y204 PolarHBondContact O-N 2.85Å; Y204-R206 PolarHBondContact O-N 3.46Å
205T52.3Low64.2Low112 Ų112144.9 Ų144.969%0.68772%0.722SS**  trans-58.195.4153.150.80000103.2S203 R207S203-T205 PolarHBondContact O-N 3.37Å; T205-R207 PolarHBondContact O-N 3.04Å
206R52.6Low63.2Low233 Ų233146.3 Ų146.388%0.87973%0.729SS**  trans-56.598.2167-82.1-171.9-177.8-173.41.6103.9Y204 K208Y204-R206 PolarHBondContact O-N 3.46Å; R206-K208 PolarHBondContact O-N 3.49Å
207R52.1Low62.1Low227 Ų227140.9 Ų140.986%0.85772%0.722SS**  trans-49.3115.2168.9-74.5-174.7177.6-178.9-0.5103.8T205 K209T205-R207 PolarHBondContact O-N 3.04Å; R207-K209 PolarHBondContact O-N 3.04Å
208K58Low61.1Low205 Ų205137.5 Ų137.589%0.89172%0.715SS**  trans-54.3104.2169.4-79.1179.7178.9172.30103.5R206 T210R206-K208 PolarHBondContact O-N 3.49Å; K208-T210 PolarHBondContact O-N 3.34Å
209K58.8Low60.5Low192 Ų192144.5 Ų144.584%0.83573%0.729SS**  trans-51.2120.3172.5-70.6-174.2178-1750104.4R207 K211R207-K209 PolarHBondContact O-N 3.04Å; K209-K211 PolarHBondContact O-N 3.38Å
210T59.3Low60.4Low140 Ų140146.4 Ų146.486%0.85974%0.74SS**  trans-47.5113.2173.3-13.90000104.8K208 G212K208-T210 PolarHBondContact O-N 3.34Å; T210-G212 PolarHBondContact O-N 3.42Å
211K56.6Low60.4Low203 Ų203151.8 Ų151.888%0.88375%0.753SS**  trans-58.4112.7179.6-72-175.2178.9179.90104.4K209K209-K211 PolarHBondContact O-N 3.38Å
212G67.5Low60.3Low54 Ų54150.9 Ų150.956%0.55775%0.753SS**  trans-50.5149.3169.300000108T210 N214T210-G212 PolarHBondContact O-N 3.42Å; G212-N214 PolarHBondContact O-N 2.92Å
213P66.3Low60.2Low97 Ų97154 Ų15463%0.6377%0.767SS**  trans-49.8133.5179.122.5-32.3000108.2P215P213-P215 VanDerWaalsContact O-N 3.13Å
214N68.3Low60.1Low92 Ų92158.3 Ų158.349%0.49277%0.774SS.*  trans-45.2125.6179.9175.12.9000107.9G212 L216 S217G212-N214 PolarHBondContact O-N 2.92Å; N214-L216 PolarHBondContact O-N 2.96Å; N214-L216 PolarHBondContact OD1-N 3.3Å; N214-S217 WeakPolarHBondContact O-CA 3.43Å; N214-S217 WeakPolarHBondContact O-CB 3.44Å; N214-S217 PolarHBondContact O-N 3.08Å
215P64.8Low59.6Low120 Ų120154.9 Ų154.978%0.77978%0.775SS**THydrogen-bonded Turntrans-59.6-16.1-176.721.5-33.2000113.4P213P213-P215 VanDerWaalsContact O-N 3.13Å
216L63.6Low59.5Low161 Ų161158.7 Ų158.784%0.84378%0.784SS**THydrogen-bonded Turntrans-83.2-12.5171-72.6153.6000114.3N214N214-L216 PolarHBondContact O-N 2.96Å; N214-L216 PolarHBondContact OD1-N 3.3Å
217S66Low59Low89 Ų89153.2 Ų153.262%0.62278%0.777SS**THydrogen-bonded Turntrans-99.4-11.7-177.9-175.40000113.8N214N214-S217 WeakPolarHBondContact O-CA 3.43Å; N214-S217 WeakPolarHBondContact O-CB 3.44Å; N214-S217 PolarHBondContact O-N 3.08Å
218C65.9Low58.8Low69 Ų69148.4 Ų148.447%0.46677%0.773SS.*SBendtrans-86.3111.7171.9-65.40000109.1Q220C218-Q220 PolarHBondContact O-N 3.13Å
219K65Low58.2Low203 Ų203148.3 Ų148.388%0.88377%0.772SS**PPolyproline II helixtrans-50.8124.6165-73.7-178176.9179.70108K221K219-K221 PolarHBondContact O-N 3.08Å
220Q64.3Low57.1Low187 Ų187149.7 Ų149.787%0.87477%0.772SS**PPolyproline II helixtrans-54.2130.3176.7-67.9-174.8-3.400108.8C218 L222C218-Q220 PolarHBondContact O-N 3.13Å; Q220-L222 PolarHBondContact O-N 3.41Å
221K62.7Low56.1Low199 Ų199149.6 Ų149.687%0.86577%0.772SS**PPolyproline II helixtrans-59123.1176.3-74.1-176.4177.2-178.70108.6K219 H223K219-K221 PolarHBondContact O-N 3.08Å; K221-H223 PolarHBondContact O-N 3.49Å
222L58.4Low55.1Low172 Ų172148.9 Ų148.990%0.90177%0.768SS**PPolyproline II helixtrans-56.1116.4168.8-79151.4000108.5Q220 K224Q220-L222 PolarHBondContact O-N 3.41Å; L222-K224 PolarHBondContact O-N 3.43Å
223H54Low53.9Low191 Ų191152.5 Ų152.588%0.88478%0.78SS**PPolyproline II helixtrans-62.8117.6172.2-103.6-83.2000108.9K221K221-H223 PolarHBondContact O-N 3.49Å
224K52.6Low52.9Low188 Ų188157 Ų15782%0.81779%0.79SS**PPolyproline II helixtrans-60.5142.1165.3-71.2-176.7178.3-176.30108.9L222 H226L222-K224 PolarHBondContact O-N 3.43Å; K224-H226 PolarHBondContact O-N 2.85Å
225P42.2Very low51.8Low119 Ų119164.6 Ų164.677%0.77381%0.812SS**  trans-71.6106.4-174.529.7-31.7000108.8T227P225-T227 PolarHBondContact O-N 3Å; P225-T227 VanDerWaalsContact O-N 3.12Å
226H50.1Low51.1Low191 Ų191167.7 Ų167.788%0.88481%0.813SS**  trans-73.6100.6160.7-105.3-71000107.7K224K224-H226 PolarHBondContact O-N 2.85Å
227T42.8Very low50.5Low118 Ų118171.7 Ų171.772%0.72482%0.817SS**  trans-62.6139.9154.935.10000108.8P225P225-T227 PolarHBondContact O-N 3Å; P225-T227 VanDerWaalsContact O-N 3.12Å
228V48.2Very low49.8Very low126 Ų126177.5 Ų177.576%0.76483%0.83SS**SBendtrans122.8102.5162.1-173.10000113.9
229K44.6Very low49.4Very low204 Ų204185.3 Ų185.389%0.88785%0.85SS**  trans72.4103.5153.7-67.1176.3-176.9-177.10119.5
230R35.4Very low49.2Very low221 Ų221183.1 Ų183.183%0.83485%0.846SS**  trans-63.2121.4170.8-68.8160.664.3170.2-0.7111.5
231T38.7Very low49.2Very low137 Ų137183.1 Ų183.184%0.8484%0.844SS**  -136.598.8126.542.20000108.2T233T231-T233 PolarHBondContact O-N 2.78Å
232K35.3Very low49.6Very low188 Ų188177.6 Ų177.682%0.81782%0.822SS**  trans-78.1100.9177.1-69.6179.8178.3177.60108.8
233T43.2Very low50.7Low131 Ų131173.2 Ų173.280%0.80480%0.802SS**  trans-116.7100.9155.444.10000109.2T231 R235T231-T233 PolarHBondContact O-N 2.78Å; T233-R235 PolarHBondContact O-N 2.74Å; T233-R235 VanDerWaalsContact O-N 3.09Å
234K44Very low52Low191 Ų191173.5 Ų173.583%0.8380%0.796SS**  trans-43.1116.7168.4-69.2175.4176.2177.30108.1K236K234-K236 PolarHBondContact O-N 2.67Å
235R45.1Very low53.5Low252 Ų252167.3 Ų167.395%0.95178%0.78SS**  trans-65.385164.7-82.5-175.8170.7178.8-1.5107.6T233 R237T233-R235 PolarHBondContact O-N 2.74Å; T233-R235 VanDerWaalsContact O-N 3.09Å; R235-R237 PolarHBondContact O-N 2.75Å
236K50.1Low55.5Low184 Ų184166.6 Ų166.680%0.877%0.767SS**  trans-52.1129.4165.3-73.3-179.6176.6178.50106.4K234 K238K234-K236 PolarHBondContact O-N 2.67Å; K236-K238 PolarHBondContact O-N 2.68Å; K236-K238 VanDerWaalsContact O-N 3.1Å
237R51.3Low57.3Low246 Ų246163.7 Ų163.793%0.92875%0.752SS**  trans-42.2122.2169.2-74176.7175.4170-1.9107.5R235 R239R235-R237 PolarHBondContact O-N 2.75Å; R237-R239 PolarHBondContact O-N 2.88Å
238K52.4Low59.5Low210 Ų210162.2 Ų162.291%0.91374%0.737SS**  trans-57.5106.6177.9-74.7-177177.6179.80106.9K236 I240K236-K238 PolarHBondContact O-N 2.68Å; K236-K238 VanDerWaalsContact O-N 3.1Å; K238-I240 PolarHBondContact O-N 2.75Å
239R57.7Low61.5Low234 Ų234160.3 Ų160.388%0.88373%0.726SS**  trans-49.8129.9170.3-146.4179.1-158.7-169.33.9106.2R237 K241R237-R239 PolarHBondContact O-N 2.88Å; R239-K241 PolarHBondContact O-N 2.97Å
240I59.3Low63.6Low156 Ų156153.9 Ų153.980%0.870%0.7SS**  trans-51.5107.7174.8-62.5168.6000106K238K238-I240 PolarHBondContact O-N 2.75Å
241K64.6Low66.2Low188 Ų188148.7 Ų148.782%0.81769%0.685SS**  trans-67.5139.5170.1-78-175.3174.6-173.90106.2R239 T243R239-K241 PolarHBondContact O-N 2.97Å; K241-T243 PolarHBondContact O-N 2.89Å
242M71.8Confident68.6Low83 Ų83151 Ų15141%0.40968%0.679SS.*  trans-43116.9171.8-64.6-63.2-87.900108.7M246 K247 I250M242-M246 HydrophobicContact CE-CB 4.05Å; M242-M246 HydrophobicContact CE-CE 4.13Å; M242-M246 HydrophobicContact CE-CG 3.57Å; M242-M246 HydrophobicContact CE-SD 3.92Å; M242-M246 HydrophobicContact SD-CB 4.47Å; M242-M246 HydrophobicContact SD-CE 4.14Å; M242-M246 HydrophobicContact SD-CG 4.1Å; M242-M246 HydrophobicContact SD-SD 3.68Å; M242-M246 VanDerWaalsContact SD-SD 3.68Å; M242-K247 HydrophobicContact CB-CG 4.12Å; M242-I250 HydrophobicContact CE-CD1 3.09Å; M242-I250 HydrophobicContact CE-CG1 4.26Å
243T80.5Confident71.2Confident80 Ų80146.2 Ų146.249%0.49166%0.662SS.*  trans-62.3155.3176.556.90000108.2K241 A245 M246 K247K241-T243 PolarHBondContact O-N 2.89Å; T243-A245 PolarHBondContact O-N 2.84Å; T243-M246 WeakPolarHBondContact O-CB 3.45Å; T243-M246 PolarHBondContact O-N 3.15Å; T243-M246 PolarHBondContact OG1-N 2.84Å; T243-K247 PolarHBondContact O-N 3.29Å; T243-K247 VanDerWaalsContact O-N 3.12Å
244W82.7Confident73.4Confident196 Ų196146 Ų14674%0.74265%0.651SS**Hα-helixtrans-52.1-40.2178176.887000111.9M246 K247 Q248W244-M246 VanDerWaalsContact C-N 3.34Å; W244-M246 PolarHBondContact O-N 3.44Å; W244-K247 PolarHBondContact O-N 2.77Å; W244-Q248 HydrophobicContact CD2-CG 4.38Å; W244-Q248 HydrophobicContact CH2-CG 4.25Å; W244-Q248 HydrophobicContact CZ2-CG 4.06Å; W244-Q248 HydrophobicContact CZ3-CG 4.49Å; W244-Q248 PolarHBondContact O-N 3.5Å
245A82.6Confident75.5Confident58 Ų58141 Ų14148%0.47964%0.637SS.*Hα-helixtrans-60.1-39.6173.900000113.3T243 K247 Q248 V249T243-A245 PolarHBondContact O-N 2.84Å; A245-K247 VanDerWaalsContact C-N 3.34Å; A245-Q248 PolarHBondContact O-N 2.95Å; A245-V249 WeakPolarHBondContact O-CG2 3.22Å; A245-V249 PolarHBondContact O-N 3.37Å
246M85.2Confident77.6Confident104 Ų104134 Ų13451%0.51262%0.615SS.*Hα-helixtrans-71.8-30-179.3-147.3166.6174.600112.1M242 T243 W244 I250M242-M246 HydrophobicContact CE-CB 4.05Å; M242-M246 HydrophobicContact CE-CE 4.13Å; M242-M246 HydrophobicContact CE-CG 3.57Å; M242-M246 HydrophobicContact CE-SD 3.92Å; M242-M246 HydrophobicContact SD-CB 4.47Å; M242-M246 HydrophobicContact SD-CE 4.14Å; M242-M246 HydrophobicContact SD-CG 4.1Å; M242-M246 HydrophobicContact SD-SD 3.68Å; M242-M246 VanDerWaalsContact SD-SD 3.68Å; T243-M246 WeakPolarHBondContact O-CB 3.45Å; T243-M246 PolarHBondContact O-N 3.15Å; T243-M246 PolarHBondContact OG1-N 2.84Å; W244-M246 VanDerWaalsContact C-N 3.34Å; W244-M246 PolarHBondContact O-N 3.44Å; M246-I250 WeakPolarHBondContact O-CG1 3.47Å; M246-I250 PolarHBondContact O-N 3.01Å
247K88.3Confident79.2Confident130 Ų130130.3 Ų130.357%0.56560%0.603SS**Hα-helixtrans-66.2-44.8171.7-70.2-172.9173.5-169.20112M242 T243 W244 A245 V249 I250 E251M242-K247 HydrophobicContact CB-CG 4.12Å; T243-K247 PolarHBondContact O-N 3.29Å; T243-K247 VanDerWaalsContact O-N 3.12Å; W244-K247 PolarHBondContact O-N 2.77Å; A245-K247 VanDerWaalsContact C-N 3.34Å; K247-V249 VanDerWaalsContact C-N 3.28Å; K247-V249 PolarHBondContact O-N 3.32Å; K247-I250 PolarHBondContact O-N 3.44Å; K247-E251 PolarHBondContact O-N 3.34Å
248Q89.3Confident80.6Confident87 Ų87122.6 Ų122.641%0.40759%0.588SS.*Hα-helixtrans-62.2-35.5179.1-69.8-68.6-66.800112.6W244 A245 E251 R252W244-Q248 HydrophobicContact CD2-CG 4.38Å; W244-Q248 HydrophobicContact CH2-CG 4.25Å; W244-Q248 HydrophobicContact CZ2-CG 4.06Å; W244-Q248 HydrophobicContact CZ3-CG 4.49Å; W244-Q248 PolarHBondContact O-N 3.5Å; A245-Q248 PolarHBondContact O-N 2.95Å; Q248-E251 PolarHBondContact NE2-OE2 3.21Å; Q248-R252 PolarHBondContact O-N 3.03Å
249V89.6Confident81.8Confident87 Ų87116.4 Ų116.453%0.52757%0.571SS.*Hα-helixtrans-68.4-41.5175.5173.10000111.6A245 K247 R252 L253A245-V249 WeakPolarHBondContact O-CG2 3.22Å; A245-V249 PolarHBondContact O-N 3.37Å; K247-V249 VanDerWaalsContact C-N 3.28Å; K247-V249 PolarHBondContact O-N 3.32Å; V249-R252 PolarHBondContact O-N 3.29Å; V249-L253 HydrophobicContact CG1-CD1 4.11Å; V249-L253 WeakPolarHBondContact O-CG 3.08Å; V249-L253 PolarHBondContact O-N 3.49Å; V249-L253 VanDerWaalsContact O-N 3.08Å
250I88.9Confident82.6Confident68 Ų68113 Ų11335%0.34956%0.562SS.*Hα-helixtrans-65.5-44.1178.6-71.7177.9000111.4M242 M246 K247 R252 L253 E254M242-I250 HydrophobicContact CE-CD1 3.09Å; M242-I250 HydrophobicContact CE-CG1 4.26Å; M246-I250 WeakPolarHBondContact O-CG1 3.47Å; M246-I250 PolarHBondContact O-N 3.01Å; K247-I250 PolarHBondContact O-N 3.44Å; I250-R252 VanDerWaalsContact C-N 3.27Å; I250-R252 PolarHBondContact O-N 3.12Å; I250-L253 PolarHBondContact O-N 2.97Å; I250-E254 HydrophobicContact CG2-CG 4.24Å; I250-E254 PolarHBondContact O-N 2.74Å
251E90Very high83Confident112 Ų112112.6 Ų112.652%0.52356%0.562SS.*Hα-helixtrans-61.2-36.8179.4-167.5169.6-159.100111.9K247 Q248 T255K247-E251 PolarHBondContact O-N 3.34Å; Q248-E251 PolarHBondContact NE2-OE2 3.21Å; E251-T255 WeakPolarHBondContact O-CG2 3.35Å; E251-T255 PolarHBondContact O-N 3.22Å; E251-T255 PolarHBondContact O-OG1 3.17Å
252R89.2Confident82.8Confident187 Ų187110.1 Ų110.171%0.70658%0.576SS**Hα-helixtrans-64.9-41.9169.8-88.4-173.4177.9177.9-1.4113.3Q248 V249 I250 T255 E256Q248-R252 PolarHBondContact O-N 3.03Å; V249-R252 PolarHBondContact O-N 3.29Å; I250-R252 VanDerWaalsContact C-N 3.27Å; I250-R252 PolarHBondContact O-N 3.12Å; R252-T255 WeakPolarHBondContact CA-OG1 3.42Å; R252-T255 PolarHBondContact O-N 2.92Å; R252-T255 PolarHBondContact O-OG1 2.96Å; R252-E256 WeakPolarHBondContact O-CG 3.45Å; R252-E256 PolarHBondContact O-N 2.99Å
253L89.6Confident83.3Confident87 Ų87111.5 Ų111.546%0.45559%0.585SS.*Hα-helixtrans-69.2-36.5179.9-71.5170.3000112.3V249 I250 E256 L257V249-L253 HydrophobicContact CG1-CD1 4.11Å; V249-L253 WeakPolarHBondContact O-CG 3.08Å; V249-L253 PolarHBondContact O-N 3.49Å; V249-L253 VanDerWaalsContact O-N 3.08Å; I250-L253 PolarHBondContact O-N 2.97Å; L253-E256 PolarHBondContact O-N 2.99Å; L253-L257 WeakPolarHBondContact O-CG 3.48Å; L253-L257 PolarHBondContact O-N 3.34Å
254E89.9Confident83.4Confident125 Ų125113.2 Ų113.258%0.58459%0.59SS**Hα-helixtrans-65.7-39.8176.4-74.4175.117000111.7I250 L257 S258I250-E254 HydrophobicContact CG2-CG 4.24Å; I250-E254 PolarHBondContact O-N 2.74Å; E254-L257 PolarHBondContact O-N 3.06Å; E254-S258 WeakPolarHBondContact O-CB 3.41Å; E254-S258 PolarHBondContact O-N 3.39Å
255T87.9Confident83.5Confident88 Ų88108.6 Ų108.654%0.5458%0.581SS.*Hα-helixtrans-68.6-36.317547.40000112.6E251 R252 S259E251-T255 WeakPolarHBondContact O-CG2 3.35Å; E251-T255 PolarHBondContact O-N 3.22Å; E251-T255 PolarHBondContact O-OG1 3.17Å; R252-T255 WeakPolarHBondContact CA-OG1 3.42Å; R252-T255 PolarHBondContact O-N 2.92Å; R252-T255 PolarHBondContact O-OG1 2.96Å; T255-S259 WeakPolarHBondContact O-CB 3.34Å; T255-S259 PolarHBondContact O-N 2.88Å; T255-S259 PolarHBondContact O-OG 2.97Å
256E88.5Confident83.5Confident103 Ų103111.5 Ų111.548%0.48159%0.587SS.*Hα-helixtrans-68.8-29.5173.7-76.3178.6-169.800113.7R252 L253 S259 K260R252-E256 WeakPolarHBondContact O-CG 3.45Å; R252-E256 PolarHBondContact O-N 2.99Å; L253-E256 PolarHBondContact O-N 2.99Å; E256-S259 WeakPolarHBondContact CA-OG 3.5Å; E256-S259 PolarHBondContact O-OG 3.33Å; E256-K260 WeakPolarHBondContact O-CG 3.37Å
257L84Confident83.4Confident107 Ų107112 Ų11256%0.5659%0.592SS**Hα-helixtrans-79.9-45176.3-75.3165.1000111.3L253 E254 S259 K260 D261L253-L257 WeakPolarHBondContact O-CG 3.48Å; L253-L257 PolarHBondContact O-N 3.34Å; E254-L257 PolarHBondContact O-N 3.06Å; L257-S259 PolarHBondContact O-N 2.92Å; L257-K260 PolarHBondContact O-N 3.03Å; L257-D261 PolarHBondContact O-N 3.03Å
258S81.2Confident83.1Confident85 Ų85110.8 Ų110.859%0.59459%0.594SS**Hα-helixtrans-65.3-21.6178.7-172.60000113.8E254E254-S258 WeakPolarHBondContact O-CB 3.41Å; E254-S258 PolarHBondContact O-N 3.39Å
259S77.4Confident82.7Confident80 Ų80112.5 Ų112.556%0.55961%0.607SS**THydrogen-bonded Turntrans-86.6-7.8174.750.10000113.9T255 E256 L257T255-S259 WeakPolarHBondContact O-CB 3.34Å; T255-S259 PolarHBondContact O-N 2.88Å; T255-S259 PolarHBondContact O-OG 2.97Å; E256-S259 WeakPolarHBondContact CA-OG 3.5Å; E256-S259 PolarHBondContact O-OG 3.33Å; L257-S259 PolarHBondContact O-N 2.92Å
260K74.8Confident82.1Confident162 Ų162114.5 Ų114.570%0.70461%0.613SS**THydrogen-bonded Turntrans-99.3-20.5174.3-75.2177.5179.6172.10113.3E256 L257E256-K260 WeakPolarHBondContact O-CG 3.37Å; L257-K260 PolarHBondContact O-N 3.03Å
261D67.3Low81.6Confident148 Ų148118.3 Ų118.379%0.79164%0.635SS**  trans-98.73.6179.3-65.2-29.7000113.3L257L257-D261 PolarHBondContact O-N 3.03Å
262A59.3Low80.8Confident136 Ų136118.9 Ų118.9100%1.12465%0.645SS**  trans-112.90171.100000110.2

Retrieved 262 of 262 residues in 82.8 ms (Link to these results)

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